Diflunisal glucuronide ester
TL;DR: Diflunisal glucuronide ester (CAS 58446-30-3) 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-[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Diflunisal acyl glucuronide, Diflunisal glucuronide ester, Diflunisal acyl-I2-D-glucuronide, Diflunisal Acyl-beta-D-glucuronide, (2S,3S,4S,5R,6S)-6-[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C19H16F2O9 |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.07623 |
| Heavy Atoms | 30 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 58446-30-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O |
| InChIKey | HDNSISKAKJZJPR-NAHJCDBISA-N |
Product Overview
Diflunisal glucuronide ester (CAS 58446-30-3), with molecular formula C19H16F2O9 and molecular weight 426.08 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Diflunisal glucuronide ester
Property Insights of Diflunisal glucuronide ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diflunisal glucuronide ester. The TPSA of 154.0 Ų indicates high polarity, suggesting Diflunisal glucuronide ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diflunisal glucuronide ester has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diflunisal glucuronide ester?
The CAS number of Diflunisal glucuronide ester is 58446-30-3.
What is the molecular formula of Diflunisal glucuronide ester?
The molecular formula of Diflunisal glucuronide ester is C19H16F2O9.
What is the molecular weight of Diflunisal glucuronide ester?
The molecular weight of Diflunisal glucuronide ester is 426.08 g/mol.
Where can I buy Diflunisal glucuronide ester?
You can request a quote for Diflunisal glucuronide ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diflunisal glucuronide ester?
Yes, KEHONG BIO provides custom synthesis services for Diflunisal glucuronide ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.