RefChem:318350
TL;DR: RefChem:318350 (CAS 53115-84-7) is a chemical compound with molecular formula C24H32Cl2NO12P and molecular weight 627.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-N-(2-chloro-1-phenylethyl)-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphosphonamidic acid
Also Known As: alpha-D-Glucopyranose, 2,3,4,6-tetracetate 1-(phenylbis(2-chloroethyl)phosphoramide), 2,3,4,6-Tetra-O-acetyl-1-O-{[(2-chloroethyl)(2-chloro-1-phenylethyl)amino](hydroxy)phosphoryl}-alpha-D-glucopyranose, 2,3,4,6-Tetra-O-acetyl-1-O-{[(2-chloroethyl)(2-chloro-1-phenylethyl)amino](hydroxy)phosphoryl}hexopyranose, N-(2-chloroethyl)-N-(2-chloro-1-phenylethyl)-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphosphonamidic acid, BRN 1675427
| Molecular Formula | C24H32Cl2NO12P |
|---|---|
| Molecular Weight | 627.10 g/mol |
| LogP | 2.7074 |
| Topological Polar Surface Area | 164.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 627.10394 |
| Heavy Atoms | 40 |
| Complexity | 1077.1963 |
Chemical Identifiers
| CAS Number | 53115-84-7 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(N(CCCl)C(CCl)C2=CC=CC=C2)O)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
RefChem:318350 (CAS 53115-84-7), with molecular formula C24H32Cl2NO12P and molecular weight 627.10 g/mol. IUPAC: N-(2-chloroethyl)-N-(2-chloro-1-phenylethyl)-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphosphonamidic acid.
Chemical Property Profile of RefChem:318350
Property Insights of RefChem:318350
The XLogP value of 2.7074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318350. The TPSA of 164.2 Ų indicates high polarity, suggesting RefChem:318350 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:318350 has 1 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 RefChem:318350?
The CAS number of RefChem:318350 is 53115-84-7.
What is the molecular formula of RefChem:318350?
The molecular formula of RefChem:318350 is C24H32Cl2NO12P.
What is the molecular weight of RefChem:318350?
The molecular weight of RefChem:318350 is 627.10 g/mol.
Where can I buy RefChem:318350?
You can request a quote for RefChem:318350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318350?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.