成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 625-72-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 625-72-9
Chemical Structure| 625-72-9
Structure of 625-72-9 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 625-72-9 ]

Related Doc. of [ 625-72-9 ]

Alternatived Products of [ 625-72-9 ]
Product Citations

Product Details of [ 625-72-9 ]

CAS No. :625-72-9 MDL No. :MFCD00066257
Formula : C4H8O3 Boiling Point : -
Linear Structure Formula :CO2HCH2CHOHCH3 InChI Key :WHBMMWSBFZVSSR-GSVOUGTGSA-N
M.W : 104.10 Pubchem ID :92135
Synonyms :
(R)-3-Hydroxybutyric acid;R-3HB;D-3-hydroxybutyric acid;(R)-(-)-3-Hydroxybutanoic acid

Calculated chemistry of [ 625-72-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 24.28
TPSA : 57.53 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.63
Log Po/w (XLOGP3) : -0.53
Log Po/w (WLOGP) : -0.16
Log Po/w (MLOGP) : -0.39
Log Po/w (SILICOS-IT) : -0.49
Consensus Log Po/w : -0.19

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -0.02
Solubility : 99.5 mg/ml ; 0.956 mol/l
Class : Very soluble
Log S (Ali) : -0.21
Solubility : 64.3 mg/ml ; 0.618 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.55
Solubility : 372.0 mg/ml ; 3.57 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.55

Safety of [ 625-72-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 625-72-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 625-72-9 ]

[ 625-72-9 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 18826-95-4 ]
  • [ 6168-83-8 ]
  • [ 625-72-9 ]
  • [ 541-50-4 ]
  • 2
  • [ 541-50-4 ]
  • [ 6168-83-8 ]
  • [ 625-72-9 ]
  • 3
  • [ 141-97-9 ]
  • [ 6168-83-8 ]
  • [ 625-72-9 ]
  • [ 24915-95-5 ]
  • [ 56816-01-4 ]
  • 5
  • 6-Methyl-2-((1R,2S,3R,5R)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl)-[1,3,2]dioxaborinan-4-one [ No CAS ]
  • [ 6168-83-8 ]
  • [ 625-72-9 ]
  • 6
  • [ 4368-06-3 ]
  • [ 6168-83-8 ]
  • [ 625-72-9 ]
  • [ 123689-95-2 ]
  • [ 125103-95-9 ]
YieldReaction ConditionsOperation in experiment
With bacterial isolate; In aq. phosphate buffer; at 15℃;pH 7.2; General procedure: The procedure for large scale biotransformation of racemic 3-hydroxybutyronitrile was similar to the general procedure, with the exception of the use of potassium phosphate buffer (0.1 M, pH 7.0, 100 mL) containing 3-hydroxybutyronitrile (85.1 mg, 10 mM). The resulting aqueous solution was basified to pH 12 with aqueous NaOH (2 M) and extracted with ethyl acetate (3 × 100 mL). The aqueous solution was acidified using aqueous HCl (2 M) to pH 2 and extracted with ethyl acetate (3 × 100 mL), dried over MgSO4 and the solvent removed under vacuum. The crude product was subjected to silica gel column chromatography eluted with a mixture of hexane and ethyl acetate (1:1) to give 3-hydroxybutyric acid in 42percent yield (44 mg, 4.23 mmol) as clear oil. The configuration of the corresponding acid was determined by comparing the direction of specific rotation with that of an authentic sample. Enantiomeric excess values were obtained from HPLC analysis using a column of chiral stationary phase and correlated with literature. (R)-enantiomer elutes at 11.94 min, (S)-enantiomer elutes at 12.34 min [34]. 1H NMR (400 MHz, CDCl3) delta = 4.19?4.27 (1H, m), delta = 2.45?2.58 (2H, m), delta = 1.23 (3H, d, J = 6.3 Hz). 13C NMR (400 MHz, CDCl3) delta = 117, 76, 64, 42, 22 [alpha]d25 = +4.0 (c = 2.5, MeOH), and compared with that in the literature [alpha]d25 = +4.1 (c = 2.7, MeOH) [35]. This experiment was performed in triplicate.
  • 7
  • [ 107-89-1 ]
  • [ 6168-83-8 ]
  • [ 625-72-9 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 625-72-9 ]

Aliphatic Chain Hydrocarbons

Chemical Structure| 6168-83-8

[ 6168-83-8 ]

(S)-3-Hydroxybutanoic acid

Similarity: 1.00

Chemical Structure| 14292-26-3

[ 14292-26-3 ]

3-Hydroxydecanoic acid

Similarity: 0.95

Chemical Structure| 13613-65-5

[ 13613-65-5 ]

Sodium (R)-3-hydroxybutanoate

Similarity: 0.95

Chemical Structure| 150-83-4

[ 150-83-4 ]

Sodium 3-hydroxybutanoate

Similarity: 0.95

Chemical Structure| 625-08-1

[ 625-08-1 ]

3-Hydroxy-3-methylbutanoic acid

Similarity: 0.86

Alcohols

Chemical Structure| 6168-83-8

[ 6168-83-8 ]

(S)-3-Hydroxybutanoic acid

Similarity: 1.00

Chemical Structure| 14292-26-3

[ 14292-26-3 ]

3-Hydroxydecanoic acid

Similarity: 0.95

Chemical Structure| 13613-65-5

[ 13613-65-5 ]

Sodium (R)-3-hydroxybutanoate

Similarity: 0.95

Chemical Structure| 150-83-4

[ 150-83-4 ]

Sodium 3-hydroxybutanoate

Similarity: 0.95

Chemical Structure| 625-08-1

[ 625-08-1 ]

3-Hydroxy-3-methylbutanoic acid

Similarity: 0.86

Carboxylic Acids

Chemical Structure| 6168-83-8

[ 6168-83-8 ]

(S)-3-Hydroxybutanoic acid

Similarity: 1.00

Chemical Structure| 14292-26-3

[ 14292-26-3 ]

3-Hydroxydecanoic acid

Similarity: 0.95

Chemical Structure| 625-08-1

[ 625-08-1 ]

3-Hydroxy-3-methylbutanoic acid

Similarity: 0.86

Chemical Structure| 133-37-9

[ 133-37-9 ]

(2R,3R)-rel-2,3-Dihydroxysuccinic acid

Similarity: 0.83

Chemical Structure| 87-69-4

[ 87-69-4 ]

(2R,3R)-2,3-Dihydroxysuccinic acid

Similarity: 0.83

; ;