Benzofenac
TL;DR: Benzofenac (CAS 60736-70-1) is a chemical compound with molecular formula C15H13ClO3 and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-phenylmethoxyphenyl)acetic acid
Also Known As: Benzofenac, benzofac, benzofac VUFB, Octyl isothiocyanate, 3-chloro-4-benzoyloxyphenylacetic acid
| Molecular Formula | C15H13ClO3 |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.05533 |
| Heavy Atoms | 19 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 60736-70-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC(=O)O)Cl |
| InChIKey | DFHBBMJTBBLQSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzofenac (CAS 60736-70-1), with molecular formula C15H13ClO3 and molecular weight 276.06 g/mol. IUPAC: 2-(3-chloro-4-phenylmethoxyphenyl)acetic acid.
Chemical Property Profile of Benzofenac
Property Insights of Benzofenac
The XLogP value of 3.4 indicates that Benzofenac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzofenac exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzofenac 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 Benzofenac?
The CAS number of Benzofenac is 60736-70-1.
What is the molecular formula of Benzofenac?
The molecular formula of Benzofenac is C15H13ClO3.
What is the molecular weight of Benzofenac?
The molecular weight of Benzofenac is 276.06 g/mol.
Where can I buy Benzofenac?
You can request a quote for Benzofenac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofenac?
Yes, KEHONG BIO provides custom synthesis services for Benzofenac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.