氯吡格雷
TL;DR: 氯吡格雷 (CAS 113665-84-2) is a chemical compound with molecular formula C16H16ClNO2S and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯吡格雷
methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
Also Known As: clopidogrel, Zyllt, (S)-Clopidogrel, Iscover, Thrombo
| Molecular Formula | C16H16ClNO2S |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.05902 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
| Melting Point | 158 |
| Solubility | 15.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 113665-84-2 |
|---|---|
| SMILES | COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3 |
| InChIKey | GKTWGGQPFAXNFI-HNNXBMFYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯吡格雷 (CAS 113665-84-2), with molecular formula C16H16ClNO2S and molecular weight 321.06 g/mol. IUPAC: methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate.
Chemical Property Profile of 氯吡格雷
Property Insights of 氯吡格雷
The XLogP value of 3.8 indicates that 氯吡格雷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, 氯吡格雷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯吡格雷 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氯吡格雷?
The CAS number of 氯吡格雷 is 113665-84-2.
What is the molecular formula of 氯吡格雷?
The molecular formula of 氯吡格雷 is C16H16ClNO2S.
What is the molecular weight of 氯吡格雷?
The molecular weight of 氯吡格雷 is 321.06 g/mol.
Where can I buy 氯吡格雷?
You can request a quote for 氯吡格雷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯吡格雷?
Yes, KEHONG BIO provides custom synthesis services for 氯吡格雷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.