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. 52397-81-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 52397-81-6
Chemical Structure| 52397-81-6
Structure of 52397-81-6 * 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 [ 52397-81-6 ]

Related Doc. of [ 52397-81-6 ]

Alternatived Products of [ 52397-81-6 ]
Product Citations

Product Details of [ 52397-81-6 ]

CAS No. :52397-81-6 MDL No. :MFCD08276785
Formula : C9H6Cl2O Boiling Point : No data available
Linear Structure Formula :- InChI Key :BIGNWTAXBIQGAZ-UHFFFAOYSA-N
M.W : 201.05 Pubchem ID :12206518
Synonyms :

Calculated chemistry of [ 52397-81-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.51
TPSA : 17.07 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.45 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.11
Log Po/w (XLOGP3) : 2.92
Log Po/w (WLOGP) : 3.12
Log Po/w (MLOGP) : 2.84
Log Po/w (SILICOS-IT) : 4.0
Consensus Log Po/w : 3.0

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.3
Solubility : 0.102 mg/ml ; 0.000506 mol/l
Class : Soluble
Log S (Ali) : -2.94
Solubility : 0.231 mg/ml ; 0.00115 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.35
Solubility : 0.00892 mg/ml ; 0.0000444 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.79

Safety of [ 52397-81-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 52397-81-6 ]

* 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 [ 52397-81-6 ]

[ 52397-81-6 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 52397-82-7 ]
  • [ 52397-81-6 ]
YieldReaction ConditionsOperation in experiment
55% With aluminum (III) chloride; In dichloromethane; at 20℃; for 3.0h;Inert atmosphere; Reflux; Oxalyl chloride (6.9 g, 55 mmol) was added dropwise at room temperature to a solution of 3-(2,4-dichlorophenyl)propanoic acid (7, 11 g, 50 mmol) in 20 ml of dichloromethane. The mixture was stirred for 2 h at room temperature, then the excess oxalyl chloride was removed in vacuo to give 3-(2,4-dichlorophenyl)propanoyl chloride, which was dissolved in 50 ml of dichloromethane. This solution was added dropwise at room temperature to amixture of aluminium chloride (7.3 g, 55 mmol) in 50 ml dichloromethane.Subsequently the reaction mixture was heated for 3 h to reflux, cooled to room temperature again and poured on ice-water. After separation of the phases, the organic layer was washed with saturated aqueous sodium bicarbonate solution and water, dried over sodium sulfate and concentrated under reduced pressure. The remainder was purified by chromatography on silica gel, using hexane /dichloromethane 1 : 1 as eluent system to deliver 4,6-dichloroindan-1-one (8, 5.4g, 27 mmol, 55 %). 1H-NMR (400 MHz, CDCl3): delta = 2.69 (t, 2H, J = 5.7 Hz),3.05 (t, 2H, J = 5.7 Hz), 7.63 (d, 1H, J = 2.0 Hz), 7.94 (d, 1H, J = 2.0 Hz). LC-MS:Rt = 1.02 min; MS: m/z = 201 [M+1]+.
  • 2
  • [ 52397-81-6 ]
  • [ 141-78-6 ]
  • [ 166251-39-4 ]
  • 3
  • [ 52397-81-6 ]
  • [ 248607-96-7 ]
  • 2-[3-(4,6-Dichloroindan-1-ylamino)prop-1-ylamino]-1H-quinolin-4-one [ No CAS ]
  • 4
  • [ 1201-99-6 ]
  • [ 52397-81-6 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 52397-81-6 ]

Aryls

Chemical Structure| 15115-59-0

[ 15115-59-0 ]

4-Chloro-2,3-dihydroinden-1-one

Similarity: 0.98

Chemical Structure| 26673-31-4

[ 26673-31-4 ]

6-Chloro-3,4-dihydronaphthalen-1(2H)-one

Similarity: 0.95

Chemical Structure| 26673-32-5

[ 26673-32-5 ]

7-Chloro-3,4-dihydronaphthalen-1(2H)-one

Similarity: 0.95

Chemical Structure| 628732-10-5

[ 628732-10-5 ]

6-Chloro-7-methyl-2,3-dihydro-1H-inden-1-one

Similarity: 0.93

Chemical Structure| 14548-38-0

[ 14548-38-0 ]

6-Chloro-2,3-dihydroinden-1-one

Similarity: 0.93

Chlorides

Chemical Structure| 15115-59-0

[ 15115-59-0 ]

4-Chloro-2,3-dihydroinden-1-one

Similarity: 0.98

Chemical Structure| 26673-31-4

[ 26673-31-4 ]

6-Chloro-3,4-dihydronaphthalen-1(2H)-one

Similarity: 0.95

Chemical Structure| 26673-32-5

[ 26673-32-5 ]

7-Chloro-3,4-dihydronaphthalen-1(2H)-one

Similarity: 0.95

Chemical Structure| 628732-10-5

[ 628732-10-5 ]

6-Chloro-7-methyl-2,3-dihydro-1H-inden-1-one

Similarity: 0.93

Chemical Structure| 14548-38-0

[ 14548-38-0 ]

6-Chloro-2,3-dihydroinden-1-one

Similarity: 0.93

Ketones

Chemical Structure| 15115-59-0

[ 15115-59-0 ]

4-Chloro-2,3-dihydroinden-1-one

Similarity: 0.98

Chemical Structure| 26673-31-4

[ 26673-31-4 ]

6-Chloro-3,4-dihydronaphthalen-1(2H)-one

Similarity: 0.95

Chemical Structure| 26673-32-5

[ 26673-32-5 ]

7-Chloro-3,4-dihydronaphthalen-1(2H)-one

Similarity: 0.95

Chemical Structure| 628732-10-5

[ 628732-10-5 ]

6-Chloro-7-methyl-2,3-dihydro-1H-inden-1-one

Similarity: 0.93

Chemical Structure| 14548-38-0

[ 14548-38-0 ]

6-Chloro-2,3-dihydroinden-1-one

Similarity: 0.93

; ;