Furosemide glucuronate
TL;DR: Furosemide glucuronate (CAS 72967-59-0) is a chemical compound with molecular formula C18H19ClN2O11S and molecular weight 506.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-6-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Furosemide glucuronate, Furosemide glucuronide, Furosemide acyl glucuronide, (2S,3S,4S,5R)-6-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, 1-O-(4-Chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoyl)hexopyranuronic acid
| Molecular Formula | C18H19ClN2O11S |
|---|---|
| Molecular Weight | 506.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 227.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.0398 |
| Heavy Atoms | 33 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 72967-59-0 |
|---|---|
| SMILES | C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)S(=O)(=O)N)Cl |
| InChIKey | RNVHHPUYELVHRE-ZBCYVVTKSA-N |
Product Overview
Furosemide glucuronate (CAS 72967-59-0), with molecular formula C18H19ClN2O11S and molecular weight 506.04 g/mol. IUPAC: (2S,3S,4S,5R)-6-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Furosemide glucuronate
Property Insights of Furosemide glucuronate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furosemide glucuronate. The TPSA of 227.0 Ų indicates high polarity, suggesting Furosemide glucuronate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Furosemide glucuronate has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Furosemide glucuronate?
The CAS number of Furosemide glucuronate is 72967-59-0.
What is the molecular formula of Furosemide glucuronate?
The molecular formula of Furosemide glucuronate is C18H19ClN2O11S.
What is the molecular weight of Furosemide glucuronate?
The molecular weight of Furosemide glucuronate is 506.04 g/mol.
Where can I buy Furosemide glucuronate?
You can request a quote for Furosemide glucuronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furosemide glucuronate?
Yes, KEHONG BIO provides custom synthesis services for Furosemide glucuronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.