Gemfibrozil 1-O-acylglucuronide
TL;DR: Gemfibrozil 1-O-acylglucuronide (CAS 91683-38-4) is a chemical compound with molecular formula C21H30O9 and molecular weight 426.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Gemfibrozil 1-O-beta-Glucuronide, Gemfibrozil Glucuronide, Gemfibrozil 1-O-acylglucuronide, Gemfibrozil 1-O-, A-Glucuronide
| Molecular Formula | C21H30O9 |
|---|---|
| Molecular Weight | 426.19 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 426.189 |
| Heavy Atoms | 30 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 91683-38-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | CJMNXSKEVNPQOK-LVEJAMMSSA-N |
Product Overview
Gemfibrozil 1-O-acylglucuronide (CAS 91683-38-4), with molecular formula C21H30O9 and molecular weight 426.19 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Gemfibrozil 1-O-acylglucuronide
Property Insights of Gemfibrozil 1-O-acylglucuronide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gemfibrozil 1-O-acylglucuronide. The TPSA of 143.0 Ų indicates high polarity, suggesting Gemfibrozil 1-O-acylglucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gemfibrozil 1-O-acylglucuronide 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 Gemfibrozil 1-O-acylglucuronide?
The CAS number of Gemfibrozil 1-O-acylglucuronide is 91683-38-4.
What is the molecular formula of Gemfibrozil 1-O-acylglucuronide?
The molecular formula of Gemfibrozil 1-O-acylglucuronide is C21H30O9.
What is the molecular weight of Gemfibrozil 1-O-acylglucuronide?
The molecular weight of Gemfibrozil 1-O-acylglucuronide is 426.19 g/mol.
Where can I buy Gemfibrozil 1-O-acylglucuronide?
You can request a quote for Gemfibrozil 1-O-acylglucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gemfibrozil 1-O-acylglucuronide?
Yes, KEHONG BIO provides custom synthesis services for Gemfibrozil 1-O-acylglucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.