Clofibric pyranoglucuronate
TL;DR: Clofibric pyranoglucuronate (CAS 80183-07-9) 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)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Clofibric acid glucuronide, CLOFIBRIC PYRANOGLUCURONATE, Cid 133401, (2S,3S,4S,5R)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, D-Glucopyranuronic acid, 1-(2-(4-chlorophenoxy)-2-methylpropanoate)
| 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 | 80183-07-9 |
|---|---|
| SMILES | CC(C)(C(=O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OC2=CC=C(C=C2)Cl |
| InChIKey | LCJVUUVMVSSIGZ-ZAOAHOKWSA-N |
Product Overview
Clofibric pyranoglucuronate (CAS 80183-07-9), with molecular formula C16H19ClO9 and molecular weight 390.07 g/mol. IUPAC: (2S,3S,4S,5R)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Clofibric pyranoglucuronate
Property Insights of Clofibric pyranoglucuronate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clofibric pyranoglucuronate. The TPSA of 143.0 Ų indicates high polarity, suggesting Clofibric pyranoglucuronate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clofibric pyranoglucuronate 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 Clofibric pyranoglucuronate?
The CAS number of Clofibric pyranoglucuronate is 80183-07-9.
What is the molecular formula of Clofibric pyranoglucuronate?
The molecular formula of Clofibric pyranoglucuronate is C16H19ClO9.
What is the molecular weight of Clofibric pyranoglucuronate?
The molecular weight of Clofibric pyranoglucuronate is 390.07 g/mol.
Where can I buy Clofibric pyranoglucuronate?
You can request a quote for Clofibric pyranoglucuronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clofibric pyranoglucuronate?
Yes, KEHONG BIO provides custom synthesis services for Clofibric pyranoglucuronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.