Degratef
TL;DR: Degratef (CAS 89457-62-5) is a chemical compound with molecular formula C20H38Cl2N7O17P3 and molecular weight 811.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,4R,5R)-1,6-bis(2-chloroethylamino)hexane-2,3,4,5-tetrol
Also Known As: Degratef, Adenosine-5'-triphosphate, 1,6-bis(2-chloroethylamino)-1,6-didesoxy-D-mannitol salt, 1,6-Bis(2-chloroethylamino)-1,6-didesoxy-D-mannitol adenosine-5'-triphosphate salt, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate; (2R,3R,4R,5R)-1,6-bis(2-chloroethylamino)hexane-2,3,4,5-tetrol, 9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine--1,6-bis[(2-chloroethyl)amino]-1,6-dideoxyhexitol (1/1)
| Molecular Formula | C20H38Cl2N7O17P3 |
|---|---|
| Molecular Weight | 811.09 g/mol |
| LogP | -3.5422 |
| Topological Polar Surface Area | 384.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 19 |
| Exact Mass | 811.09143 |
| Heavy Atoms | 49 |
| Complexity | 983.0 |
Chemical Identifiers
| CAS Number | 89457-62-5 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N.C(CCl)NC[C@H]([C@H]([C@@H]([C@@H](CNCCCl)O)O)O)O |
| InChIKey | GZPFRCKKMAQMOG-AEPGWJEHSA-N |
Product Overview
Degratef (CAS 89457-62-5), with molecular formula C20H38Cl2N7O17P3 and molecular weight 811.09 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;(2R,3R,4R,5R)-1,6-bis(2-chloroethylamino)hexane-2,3,4,5-tetrol.
Chemical Property Profile of Degratef
Property Insights of Degratef
The XLogP value of -3.5422 indicates that Degratef is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 384.0 Ų indicates high polarity, suggesting Degratef may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Degratef has 13 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 Degratef?
The CAS number of Degratef is 89457-62-5.
What is the molecular formula of Degratef?
The molecular formula of Degratef is C20H38Cl2N7O17P3.
What is the molecular weight of Degratef?
The molecular weight of Degratef is 811.09 g/mol.
Where can I buy Degratef?
You can request a quote for Degratef directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Degratef?
Yes, KEHONG BIO provides custom synthesis services for Degratef and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.