Zomepirac glucuronide
TL;DR: Zomepirac glucuronide (CAS 75871-31-7) is a chemical compound with molecular formula C21H22ClNO9 and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Zomepirac glucuronide, Zomepirac glucronide, Zomepirac Acyl-O-b-D-glucuronide, Zomepirac Acyl-O-, A-D-glucuronide
| Molecular Formula | C21H22ClNO9 |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.0983 |
| Heavy Atoms | 32 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 75871-31-7 |
|---|---|
| SMILES | CC1=C(N(C(=C1)CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | FNGKIZYZSHHXJZ-ZFORQUDYSA-N |
Product Overview
Zomepirac glucuronide (CAS 75871-31-7), with molecular formula C21H22ClNO9 and molecular weight 467.10 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Zomepirac glucuronide
Property Insights of Zomepirac glucuronide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zomepirac glucuronide. The TPSA of 156.0 Ų indicates high polarity, suggesting Zomepirac glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Zomepirac glucuronide has 4 hydrogen bond donor(s) and 9 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 glucuronide?
The CAS number of Zomepirac glucuronide is 75871-31-7.
What is the molecular formula of Zomepirac glucuronide?
The molecular formula of Zomepirac glucuronide is C21H22ClNO9.
What is the molecular weight of Zomepirac glucuronide?
The molecular weight of Zomepirac glucuronide is 467.10 g/mol.
Where can I buy Zomepirac glucuronide?
You can request a quote for Zomepirac glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zomepirac glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Zomepirac glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.