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CAS 1360923-54-1 Clopidogrel molecular structure lightbox
CAS RN: 1360923-54-1

Clopidogrel

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1360923-54-1
  • Purity/Analytical Methods: >99.0%
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1360923-54-1 / methyl (2R)-2-(2-chlorophenyl)-2-(2-oxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl)acetate

Standard CAS: 1360923-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1360923-54-1
Multi CAS
No
Molecular Formula
C16H16ClNO3S
Molecular Weight
337.800000
Exact Mass
337.053942
SMILES
COC(=O)[C@@H](C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2
InChI
InChI=1S/C16H16ClNO3S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13/h2-5,8,13,15H,6-7,9H2,1H3/t13?,15-/m1/s1
InChIKey
JBSAZVIMJUOBNB-AWKYBWMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
86.87
TPSA
46.61

LogP / Solubility

WLOGP
2.83
MLOGP
2.51
XLogP3
2.6
Consensus LogP
2.65
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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