((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
TL;DR: ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester (CAS 115365-25-8) 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.
[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
Also Known As: ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester, Uridine, 5-(2-chloroethyl)-2'-deoxy-, 5'-[hydrogen (2-ethoxy-2-oxoethyl)phosphonate], [(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-(2-ethoxy-2-oxo-ethyl)phosphinic acid, [(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-(2-ethoxy-2-oxoethyl)phosphinic acid, [(Ethoxycarbonyl)methyl]phosphonic acid 1-[5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]-2-deoxy-Beta-D-erythro-pentofuranos-5-yl ester
| Molecular Formula | C15H22ClN2O9P |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | -0.2686 |
| Topological Polar Surface Area | 157.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.07513 |
| Heavy Atoms | 28 |
| Complexity | 854.6487 |
Chemical Identifiers
| CAS Number | 115365-25-8 |
|---|---|
| SMILES | CCOC(=O)CP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)CCCl)O |
Product Overview
((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester (CAS 115365-25-8), with molecular formula C15H22ClN2O9P and molecular weight 440.08 g/mol. IUPAC: [(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-(2-ethoxy-2-oxoethyl)phosphinic acid.
Chemical Property Profile of ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
Property Insights of ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
The XLogP value of -0.2686 indicates that ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.15 Ų indicates high polarity, suggesting ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester has 3 hydrogen bond donor(s) and 8 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 ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The CAS number of ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is 115365-25-8.
What is the molecular formula of ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The molecular formula of ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is C15H22ClN2O9P.
What is the molecular weight of ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The molecular weight of ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is 440.08 g/mol.
Where can I buy ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
You can request a quote for ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
Yes, KEHONG BIO provides custom synthesis services for ((Ethoxycarbonyl)methyl)phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.