Diflunisal glucuronide ether
TL;DR: Diflunisal glucuronide ether (CAS 58446-29-0) is a chemical compound with molecular formula C19H16F2O9 and molecular weight 426.08 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-carboxy-4-(2,4-difluorophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Diflunisal glucuronide ether, Diflunisal phenolic glucuronide, Diflunisal 1-O-, A-D-Glucuronide, Diflunisal 1-O-b-D-Glucuronide
| Molecular Formula | C19H16F2O9 |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 0.601 |
| Topological Polar Surface Area | 153.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.07623 |
| Heavy Atoms | 30 |
| Complexity | 980.4726 |
Chemical Identifiers
| CAS Number | 58446-29-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
Product Overview
Diflunisal glucuronide ether (CAS 58446-29-0), with molecular formula C19H16F2O9 and molecular weight 426.08 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Diflunisal glucuronide ether
Property Insights of Diflunisal glucuronide ether
The XLogP value of 0.601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diflunisal glucuronide ether. The TPSA of 153.75 Ų indicates high polarity, suggesting Diflunisal glucuronide ether may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diflunisal glucuronide ether has 5 hydrogen bond donor(s) and 7 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 Diflunisal glucuronide ether?
The CAS number of Diflunisal glucuronide ether is 58446-29-0.
What is the molecular formula of Diflunisal glucuronide ether?
The molecular formula of Diflunisal glucuronide ether is C19H16F2O9.
What is the molecular weight of Diflunisal glucuronide ether?
The molecular weight of Diflunisal glucuronide ether is 426.08 g/mol.
Where can I buy Diflunisal glucuronide ether?
You can request a quote for Diflunisal glucuronide ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diflunisal glucuronide ether?
Yes, KEHONG BIO provides custom synthesis services for Diflunisal glucuronide ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.