((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide
TL;DR: ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide (CAS 115365-16-7) is a chemical compound with molecular formula C15H22ClN2O9P and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl [[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]formate
Also Known As: ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide, [[1-[5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl]-2-deoxy-Beta-D-erythro-pentofuranos-5-yl]oxy]methoxyphosphine-carboxylic acid ethyl ester oxide, 5-(2-Chloroethyl)-1-{2-deoxy-5-O-[(ethoxycarbonyl)(methoxy)phosphoryl]-beta-D-erythro-pentofuranosyl}-4-hydroxypyrimidin-2(1H)-one, 5-(2-Chloroethyl)-1-{2-deoxy-5-O-[(ethoxycarbonyl)(methoxy)phosphoryl]pentofuranosyl}-4-hydroxypyrimidin-2(1H)-one, ethyl [[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]formate
| Molecular Formula | C15H22ClN2O9P |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | 0.9789 |
| Topological Polar Surface Area | 146.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.07513 |
| Heavy Atoms | 28 |
| Complexity | 854.6487 |
Chemical Identifiers
| CAS Number | 115365-16-7 |
|---|---|
| SMILES | CCOC(=O)P(=O)(OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)CCCl)O |
Product Overview
((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide (CAS 115365-16-7), with molecular formula C15H22ClN2O9P and molecular weight 440.08 g/mol. IUPAC: ethyl [[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]formate.
Chemical Property Profile of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide
Property Insights of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide
The XLogP value of 0.9789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide. The TPSA of 146.15 Ų indicates high polarity, suggesting ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide?
The CAS number of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide is 115365-16-7.
What is the molecular formula of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide?
The molecular formula of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide is C15H22ClN2O9P.
What is the molecular weight of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide?
The molecular weight of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide is 440.08 g/mol.
Where can I buy ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide?
You can request a quote for ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide?
Yes, KEHONG BIO provides custom synthesis services for ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic acid ethyl ester oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.