Clometacin
TL;DR: Clometacin (CAS 25803-14-9) is a chemical compound with molecular formula C19H16ClNO4 and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetic acid
Also Known As: Clometacin, Clometacine, Duperan, Clometacina, Clometazin
| Molecular Formula | C19H16ClNO4 |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.07678 |
| Heavy Atoms | 25 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 25803-14-9 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC(=O)O)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | DGMZLCLHHVYDIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clometacin (CAS 25803-14-9), with molecular formula C19H16ClNO4 and molecular weight 357.08 g/mol. IUPAC: 2-[3-(4-chlorobenzoyl)-6-methoxy-2-methylindol-1-yl]acetic acid.
Chemical Property Profile of Clometacin
Property Insights of Clometacin
The XLogP value of 4.0 indicates that Clometacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Clometacin. Following Lipinski's Rule of Five, Clometacin has 1 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 Clometacin?
The CAS number of Clometacin is 25803-14-9.
What is the molecular formula of Clometacin?
The molecular formula of Clometacin is C19H16ClNO4.
What is the molecular weight of Clometacin?
The molecular weight of Clometacin is 357.08 g/mol.
Where can I buy Clometacin?
You can request a quote for Clometacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clometacin?
Yes, KEHONG BIO provides custom synthesis services for Clometacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.