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. 3081-61-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 3081-61-6
Chemical Structure| 3081-61-6
Structure of 3081-61-6 * 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 [ 3081-61-6 ]

Related Doc. of [ 3081-61-6 ]

Alternatived Products of [ 3081-61-6 ]
Product Citations

Product Details of [ 3081-61-6 ]

CAS No. :3081-61-6 MDL No. :MFCD00059653
Formula : C7H14N2O3 Boiling Point : No data available
Linear Structure Formula :C2H5NHC(O)C2H4CH(NH2)CO2H InChI Key :DATAGRPVKZEWHA-YFKPBYRVSA-N
M.W : 174.20 Pubchem ID :439378
Synonyms :
Theanine
Chemical Name :(S)-2-Amino-5-(ethylamino)-5-oxopentanoic acid

Calculated chemistry of [ 3081-61-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.71
Num. rotatable bonds : 6
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 43.24
TPSA : 92.42 ?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) : -9.9 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.61
Log Po/w (XLOGP3) : -3.57
Log Po/w (WLOGP) : -0.69
Log Po/w (MLOGP) : -2.85
Log Po/w (SILICOS-IT) : -0.62
Consensus Log Po/w : -1.42

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.73
Solubility : 9250.0 mg/ml ; 53.1 mol/l
Class : Highly soluble
Log S (Ali) : 2.21
Solubility : 28400.0 mg/ml ; 163.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.54
Solubility : 50.0 mg/ml ; 0.287 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.84

Safety of [ 3081-61-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280 UN#:
Hazard Statements:H317 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 3081-61-6 ]

* 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 [ 3081-61-6 ]

[ 3081-61-6 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 142-47-2 ]
  • [ 75-04-7 ]
  • [ 3081-61-6 ]
  • 2
  • [ 67-56-1 ]
  • [ 3081-61-6 ]
  • C8H16N2O3*ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
With thionyl chloride; at 20℃; for 12h; L-Theanine (5 g) (Sun<strong>[3081-61-6]theanine</strong>) was slurried in dry MeOH (50 ml). Then 5.145 g of Cl2SO were added drop-wise over 5 minutes (part way through the addition all of the solids dissolve to give a clear colourless solution) and the resulting solution was held for 12 hours at 20 C. to allow the reaction shown in scheme (II) to occur:
  • 3
  • [ 67-56-1 ]
  • [ 3081-61-6 ]
  • C8H16N2O3*ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
With thionyl chloride; at 20℃; for 12.08h; Examples; EXAMPLE 1; This example demonstrates the manufacture of a compound of the invention (N-ethyl-3- [5- (2-ethylcarbamoyl-ethyl) -3, 6-dioxo- piperazin-2-yl] -propionamide; see formula (4)).; L-Theanine (5 g) (Sun<strong>[3081-61-6]theanine</strong>) was slurried in dry MeOH (50 ml). Then 5.145 g of CI2SO were added drop-wise over 5 minutes (part way through the addition all of the solids dissolve to give a clear colourless solution) and the resulting solution was held for 12 hours at 200C to allow the reaction shown in scheme (II) to occur:; MeOH, SO2 and HCl were then removed under vacuum to leave a thick clear oil to which dry MeOH (50 ml) was added. The pH was then raised by adding MeONa while testing pH by intermittently spotting onto wet indicator paper. After adding 3.17 g of MeONa, the pH had increased to >11, which resulted in the reaction shown in scheme (III) :; The resulting solution was held for 12 hours at 200C to allow the reaction shown in scheme (IV) to occur:The resulting suspension was then filtered to remove NaCl and the filtrate subjected to vacuum to remove MeOH. The product was a white solid.The product was analysed with LC-MS (Liquid-Chromatography coupled Mass Spectroscopy) under the following conditions:Column: Phenomonex Gemini 5mu C18 IIOA 150mm x 2.00mmSolvents: A: 0.1% Formic Acid / WaterB: 0.1% Formic Acid / AcetonitrileFlow rate: 0.2 ml / minuteColumn Temperature: 300C Stop Time: 25 minutes; Mass Spectrometer Detection:Selected Ion Recording at m/z 175.6 for Theanine. Selected Ion Recording at m/z 313.5 for Theanine dimer .The results showed that the product was free from <strong>[3081-61-6]theanine</strong> (retention time of <strong>[3081-61-6]theanine</strong> = 3.7 min) and had a characteristic new peak with a retention time of around 7.4 min.The high resolution proton NMR spectrum of the product in MeOD-d4 is shown in Figure 1.
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 3081-61-6 ]

Amino Acid Derivatives

Chemical Structure| 52315-75-0

[ 52315-75-0 ]

(S)-2-Amino-6-dodecanamidohexanoic acid

Similarity: 1.00

Chemical Structure| 35305-74-9

[ 35305-74-9 ]

(S)-5-Acetamido-2-amino-5-oxopentanoic acid

Similarity: 0.97

Chemical Structure| 692-04-6

[ 692-04-6 ]

(S)-6-Acetamido-2-aminohexanoic acid

Similarity: 0.97

Chemical Structure| 3397-65-7

[ 3397-65-7 ]

N-Lauroyl-L-glutamic acid

Similarity: 0.93

Chemical Structure| 2490-97-3

[ 2490-97-3 ]

Ac-L-Gln-OH

Similarity: 0.93

; ;