Diquafosol Impurity 2
TL;DR: Diquafosol Impurity 2 (CAS 63785-59-1) is a chemical compound with molecular formula C18H25N4O20P3 and molecular weight 710.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: Diquafosol Impurity 2, J1.474.022H, Triphosphoric acid alpha,gamma-bis(5 -uridyl) ester, Triphosphoric acid Oalpha,Ogamma-di(5 -uridyl) ester, Uridine 5?-(tetrahydrogen triphosphate), P???5?-ester with uridine
| Molecular Formula | C18H25N4O20P3 |
|---|---|
| Molecular Weight | 710.03 g/mol |
| LogP | -4.3072 |
| Topological Polar Surface Area | 357.92 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 710.0275 |
| Heavy Atoms | 45 |
| Complexity | 1648.1722 |
Chemical Identifiers
| CAS Number | 63785-59-1 |
|---|---|
| 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)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O |
Product Overview
Diquafosol Impurity 2 (CAS 63785-59-1), with molecular formula C18H25N4O20P3 and molecular weight 710.03 g/mol. IUPAC: bis[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate.
Chemical Property Profile of Diquafosol Impurity 2
Property Insights of Diquafosol Impurity 2
The XLogP value of -4.3072 indicates that Diquafosol Impurity 2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 357.92 Ų indicates high polarity, suggesting Diquafosol Impurity 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diquafosol Impurity 2 has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diquafosol Impurity 2?
The CAS number of Diquafosol Impurity 2 is 63785-59-1.
What is the molecular formula of Diquafosol Impurity 2?
The molecular formula of Diquafosol Impurity 2 is C18H25N4O20P3.
What is the molecular weight of Diquafosol Impurity 2?
The molecular weight of Diquafosol Impurity 2 is 710.03 g/mol.
Where can I buy Diquafosol Impurity 2?
You can request a quote for Diquafosol Impurity 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diquafosol Impurity 2?
Yes, KEHONG BIO provides custom synthesis services for Diquafosol Impurity 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.