3'-Hydroxydiclofenac
TL;DR: 3'-Hydroxydiclofenac (CAS 69002-85-3) is a chemical compound with molecular formula C14H11Cl2NO3 and molecular weight 311.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,6-dichloro-3-hydroxyanilino)phenyl]acetic acid
Also Known As: 3'-Hydroxydiclofenac, 3'-Hydroxy Diclofenac, Diclofenac Impurity 44, Diclofenac Impurity 45, 3'-OH DCF
| Molecular Formula | C14H11Cl2NO3 |
|---|---|
| Molecular Weight | 311.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0116 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 69002-85-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC(=C2Cl)O)Cl |
| InChIKey | HYPJZSYXUWYJDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Hydroxydiclofenac (CAS 69002-85-3), with molecular formula C14H11Cl2NO3 and molecular weight 311.01 g/mol. IUPAC: 2-[2-(2,6-dichloro-3-hydroxyanilino)phenyl]acetic acid.
Chemical Property Profile of 3'-Hydroxydiclofenac
Property Insights of 3'-Hydroxydiclofenac
The XLogP value of 4.0 indicates that 3'-Hydroxydiclofenac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Hydroxydiclofenac. Following Lipinski's Rule of Five, 3'-Hydroxydiclofenac has 3 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 3'-Hydroxydiclofenac?
The CAS number of 3'-Hydroxydiclofenac is 69002-85-3.
What is the molecular formula of 3'-Hydroxydiclofenac?
The molecular formula of 3'-Hydroxydiclofenac is C14H11Cl2NO3.
What is the molecular weight of 3'-Hydroxydiclofenac?
The molecular weight of 3'-Hydroxydiclofenac is 311.01 g/mol.
Where can I buy 3'-Hydroxydiclofenac?
You can request a quote for 3'-Hydroxydiclofenac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Hydroxydiclofenac?
Yes, KEHONG BIO provides custom synthesis services for 3'-Hydroxydiclofenac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.