Diquafosol Tetrasodium
TL;DR: Diquafosol Tetrasodium (CAS 266356-23-4) is a chemical compound with molecular formula C18H22N4Na4O23P4 and molecular weight 877.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Also Known As: Diquafosol tetrasodium, Diquafosol sodium, Ins 365, Prolacria, Diquas
| Molecular Formula | C18H22N4Na4O23P4 |
|---|---|
| Molecular Weight | 877.92 g/mol |
| LogP | -18.7022 |
| Topological Polar Surface Area | 405.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 14 |
| Exact Mass | 877.92163 |
| Heavy Atoms | 53 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 266356-23-4 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | OWTGMPPCCUSXIP-FNXFGIETSA-J |
Product Overview
Diquafosol Tetrasodium (CAS 266356-23-4), with molecular formula C18H22N4Na4O23P4 and molecular weight 877.92 g/mol. IUPAC: tetrasodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.
Chemical Property Profile of Diquafosol Tetrasodium
Property Insights of Diquafosol Tetrasodium
The XLogP value of -18.7022 indicates that Diquafosol Tetrasodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 405.0 Ų indicates high polarity, suggesting Diquafosol Tetrasodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diquafosol Tetrasodium has 6 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diquafosol Tetrasodium?
The CAS number of Diquafosol Tetrasodium is 266356-23-4.
What is the molecular formula of Diquafosol Tetrasodium?
The molecular formula of Diquafosol Tetrasodium is C18H22N4Na4O23P4.
What is the molecular weight of Diquafosol Tetrasodium?
The molecular weight of Diquafosol Tetrasodium is 877.92 g/mol.
Where can I buy Diquafosol Tetrasodium?
You can request a quote for Diquafosol Tetrasodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diquafosol Tetrasodium?
Yes, KEHONG BIO provides custom synthesis services for Diquafosol Tetrasodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.