醋氯芬酸
TL;DR: 醋氯芬酸 (CAS 89796-99-6) is a chemical compound with molecular formula C16H13Cl2NO4 and molecular weight 353.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
醋氯芬酸
2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid
Also Known As: Aceclofenac, Aceclofenaco, Preservex, Airtal, Aceclofenacum
| Molecular Formula | C16H13Cl2NO4 |
|---|---|
| Molecular Weight | 353.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.02216 |
| Heavy Atoms | 23 |
| Complexity | 411.0 |
| Melting Point | 149-153 |
| Solubility | Insoluble |
Chemical Identifiers
| CAS Number | 89796-99-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl |
| InChIKey | MNIPYSSQXLZQLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
醋氯芬酸 (CAS 89796-99-6), with molecular formula C16H13Cl2NO4 and molecular weight 353.02 g/mol. IUPAC: 2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid.
Chemical Property Profile of 醋氯芬酸
Property Insights of 醋氯芬酸
The XLogP value of 4.3 indicates that 醋氯芬酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 醋氯芬酸. Following Lipinski's Rule of Five, 醋氯芬酸 has 2 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 醋氯芬酸?
The CAS number of 醋氯芬酸 is 89796-99-6.
What is the molecular formula of 醋氯芬酸?
The molecular formula of 醋氯芬酸 is C16H13Cl2NO4.
What is the molecular weight of 醋氯芬酸?
The molecular weight of 醋氯芬酸 is 353.02 g/mol.
Where can I buy 醋氯芬酸?
You can request a quote for 醋氯芬酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 醋氯芬酸?
Yes, KEHONG BIO provides custom synthesis services for 醋氯芬酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.