Alclofenac
TL;DR: Alclofenac (CAS 22131-79-9) is a chemical compound with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid
Also Known As: alclofenac, Medifenac, Prinalgin, Mervan, Alclophenac
| Molecular Formula | C11H11ClO3 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.03967 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 22131-79-9 |
|---|---|
| SMILES | C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl |
| InChIKey | ARHWPKZXBHOEEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alclofenac (CAS 22131-79-9), with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol. IUPAC: 2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid.
Chemical Property Profile of Alclofenac
Property Insights of Alclofenac
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alclofenac. With a topological polar surface area (TPSA) of 46.5 Ų, Alclofenac exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alclofenac has 1 hydrogen bond donor(s) and 3 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 Alclofenac?
The CAS number of Alclofenac is 22131-79-9.
What is the molecular formula of Alclofenac?
The molecular formula of Alclofenac is C11H11ClO3.
What is the molecular weight of Alclofenac?
The molecular weight of Alclofenac is 226.04 g/mol.
Where can I buy Alclofenac?
You can request a quote for Alclofenac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alclofenac?
Yes, KEHONG BIO provides custom synthesis services for Alclofenac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.