CAS RN: 1015247-88-7
rac-Clopidogrel Carboxylic Acid Hydrochloride
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1015247-88-7
- Purity/Analytical Methods: >99.0%
1015247-88-7 / 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride
rac-Clopidogrel Carboxylic Acid Hydrochloride | 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride | 2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid Hydrochloride
Basic Information
CAS
1015247-88-7
Multi CAS
No
Molecular Formula
C15H15Cl2NO2S
Molecular Weight
344.300000
Exact Mass
343.020055
SMILES
C1CN(CC2=C1SC=C2)C(C3=CC=CC=C3Cl)C(=O)O.Cl
InChI
InChI=1S/C15H14ClNO2S.ClH/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13;/h1-4,6,8,14H,5,7,9H2,(H,18,19);1H
InChIKey
FOKSIOUPGDBSLC-UHFFFAOYSA-N
Synonyms
rac-Clopidogrel Carboxylic Acid Hydrochloride
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride
2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid Hydrochloride
C15H15Cl2NO2S
rac-2-?(2-?Chlorophenyl)?-?2-?(6,?7-?dihydro-?4H-?thieno[3,?2-?c]?pyridin-?5-?yl)?acetic Acid Hydrochloride; rac-a-?(2-?Chlorophenyl)?-?6,?7-?dihydro-?thieno[3,?2-?c]?pyridine-?5(4H)?-?acetic Acid Hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.51
TPSA
40.54
LogP / Solubility
WLOGP
4.01
MLOGP
3.54
XLogP3
4.01
Consensus LogP
3.85
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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