Ketoprofen glucuronide
TL;DR: Ketoprofen glucuronide (CAS 80860-95-3) is a chemical compound with molecular formula C22H22O9 and molecular weight 430.13 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-(3-benzoylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Ketoprofen glucuronide, (+/-)-Ketoprofen Glucuronide, DL-Ketoprofen glucuronide, Ketoprofen Impurity 69, ketoprofen_acylglucuronide
| Molecular Formula | C22H22O9 |
|---|---|
| Molecular Weight | 430.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.12637 |
| Heavy Atoms | 31 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 80860-95-3 |
|---|---|
| SMILES | CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | PBTXSZZKPHBHMA-LYFYOZKASA-N |
Product Overview
Ketoprofen glucuronide (CAS 80860-95-3), with molecular formula C22H22O9 and molecular weight 430.13 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-(3-benzoylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Ketoprofen glucuronide
Property Insights of Ketoprofen glucuronide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketoprofen glucuronide. The TPSA of 151.0 Ų indicates high polarity, suggesting Ketoprofen glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ketoprofen 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 Ketoprofen glucuronide?
The CAS number of Ketoprofen glucuronide is 80860-95-3.
What is the molecular formula of Ketoprofen glucuronide?
The molecular formula of Ketoprofen glucuronide is C22H22O9.
What is the molecular weight of Ketoprofen glucuronide?
The molecular weight of Ketoprofen glucuronide is 430.13 g/mol.
Where can I buy Ketoprofen glucuronide?
You can request a quote for Ketoprofen glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketoprofen glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Ketoprofen glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.