3'-Hydroxy-4'-methoxydiclofenac
TL;DR: 3'-Hydroxy-4'-methoxydiclofenac (CAS 106611-48-7) is a chemical compound with molecular formula C15H13Cl2NO4 and molecular weight 341.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,6-dichloro-3-hydroxy-4-methoxyanilino)phenyl]acetic acid
Also Known As: 3'-Hydroxy-4'-methoxydiclofenac, Diclofenac Impurity 23, Epitope ID:143247, Diclofenac sodium Impurity 49, 1-trimethylstannylpent-1-yn-3-one
| Molecular Formula | C15H13Cl2NO4 |
|---|---|
| Molecular Weight | 341.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.02216 |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 106611-48-7 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1O)Cl)NC2=CC=CC=C2CC(=O)O)Cl |
| InChIKey | YALZBLAHGKGDMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Hydroxy-4'-methoxydiclofenac (CAS 106611-48-7), with molecular formula C15H13Cl2NO4 and molecular weight 341.02 g/mol. IUPAC: 2-[2-(2,6-dichloro-3-hydroxy-4-methoxyanilino)phenyl]acetic acid.
Chemical Property Profile of 3'-Hydroxy-4'-methoxydiclofenac
Property Insights of 3'-Hydroxy-4'-methoxydiclofenac
The XLogP value of 4.1 indicates that 3'-Hydroxy-4'-methoxydiclofenac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Hydroxy-4'-methoxydiclofenac. Following Lipinski's Rule of Five, 3'-Hydroxy-4'-methoxydiclofenac has 3 hydrogen bond donor(s) and 5 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'-Hydroxy-4'-methoxydiclofenac?
The CAS number of 3'-Hydroxy-4'-methoxydiclofenac is 106611-48-7.
What is the molecular formula of 3'-Hydroxy-4'-methoxydiclofenac?
The molecular formula of 3'-Hydroxy-4'-methoxydiclofenac is C15H13Cl2NO4.
What is the molecular weight of 3'-Hydroxy-4'-methoxydiclofenac?
The molecular weight of 3'-Hydroxy-4'-methoxydiclofenac is 341.02 g/mol.
Where can I buy 3'-Hydroxy-4'-methoxydiclofenac?
You can request a quote for 3'-Hydroxy-4'-methoxydiclofenac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Hydroxy-4'-methoxydiclofenac?
Yes, KEHONG BIO provides custom synthesis services for 3'-Hydroxy-4'-methoxydiclofenac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.