Zomepirac
TL;DR: Zomepirac (CAS 33369-31-2) is a chemical compound with molecular formula C15H14ClNO3 and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid
Also Known As: zomepirac, Zomepiracum, Zomepiraco, ZOMEPIRAC SODIUM, zomiperac
| Molecular Formula | C15H14ClNO3 |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.06622 |
| Heavy Atoms | 20 |
| Complexity | 379.0 |
| Melting Point | 178.5 |
Chemical Identifiers
| CAS Number | 33369-31-2 |
|---|---|
| SMILES | CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | ZXVNMYWKKDOREA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zomepirac (CAS 33369-31-2), with molecular formula C15H14ClNO3 and molecular weight 291.07 g/mol. IUPAC: 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid.
Chemical Property Profile of Zomepirac
Property Insights of Zomepirac
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zomepirac. With a topological polar surface area (TPSA) of 59.3 Ų, Zomepirac exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zomepirac 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 Zomepirac?
The CAS number of Zomepirac is 33369-31-2.
What is the molecular formula of Zomepirac?
The molecular formula of Zomepirac is C15H14ClNO3.
What is the molecular weight of Zomepirac?
The molecular weight of Zomepirac is 291.07 g/mol.
Where can I buy Zomepirac?
You can request a quote for Zomepirac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zomepirac?
Yes, KEHONG BIO provides custom synthesis services for Zomepirac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.