Clofibryl glucuronide
TL;DR: Clofibryl glucuronide (CAS 72072-47-0) is a chemical compound with molecular formula C16H19ClO9 and molecular weight 390.07 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-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Clofibryl glucuronide, Clofibric acid glucuronide, Clofibric beta-glucuronide, Clofibric b-Glucuronide, Clofibric
| Molecular Formula | C16H19ClO9 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.07175 |
| Heavy Atoms | 26 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 72072-47-0 |
|---|---|
| SMILES | CC(C)(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OC2=CC=C(C=C2)Cl |
| InChIKey | LCJVUUVMVSSIGZ-HNRZYHPDSA-N |
Product Overview
Clofibryl glucuronide (CAS 72072-47-0), with molecular formula C16H19ClO9 and molecular weight 390.07 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Clofibryl glucuronide
Property Insights of Clofibryl glucuronide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clofibryl glucuronide. The TPSA of 143.0 Ų indicates high polarity, suggesting Clofibryl glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clofibryl 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 Clofibryl glucuronide?
The CAS number of Clofibryl glucuronide is 72072-47-0.
What is the molecular formula of Clofibryl glucuronide?
The molecular formula of Clofibryl glucuronide is C16H19ClO9.
What is the molecular weight of Clofibryl glucuronide?
The molecular weight of Clofibryl glucuronide is 390.07 g/mol.
Where can I buy Clofibryl glucuronide?
You can request a quote for Clofibryl glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clofibryl glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Clofibryl glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.