Chlorfenac
TL;DR: Chlorfenac (CAS 85-34-7) is a chemical compound with molecular formula C8H5Cl3O2 and molecular weight 237.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3,6-trichlorophenyl)acetic acid
Also Known As: Chlorfenac, Fenac, Fenatrol, Kanepar, Fenae
| Molecular Formula | C8H5Cl3O2 |
|---|---|
| Molecular Weight | 237.94 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.93552 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
| Melting Point | 161 °C |
| Solubility | SOL IN ACETONE, ALC, ETHER |
| Vapor Pressure | 0.0000339 [mmHg] |
Chemical Identifiers
| CAS Number | 85-34-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)CC(=O)O)Cl)Cl |
| InChIKey | QZXCCPZJCKEPSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorfenac (CAS 85-34-7), with molecular formula C8H5Cl3O2 and molecular weight 237.94 g/mol. IUPAC: 2-(2,3,6-trichlorophenyl)acetic acid.
Chemical Property Profile of Chlorfenac
Property Insights of Chlorfenac
The XLogP value of 3.2 indicates that Chlorfenac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Chlorfenac exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorfenac has 1 hydrogen bond donor(s) and 2 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 Chlorfenac?
The CAS number of Chlorfenac is 85-34-7.
What is the molecular formula of Chlorfenac?
The molecular formula of Chlorfenac is C8H5Cl3O2.
What is the molecular weight of Chlorfenac?
The molecular weight of Chlorfenac is 237.94 g/mol.
Where can I buy Chlorfenac?
You can request a quote for Chlorfenac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorfenac?
Yes, KEHONG BIO provides custom synthesis services for Chlorfenac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.