(((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester
TL;DR: (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester (CAS 115365-34-9) 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]-2-(hydroxymethyl)oxolan-3-yl]oxy-(2-ethoxy-2-oxoethyl)phosphinic acid
Also Known As: (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester, ({(2R,3S,5R)-5-[5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)-acetic acid ethyl ester, [(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-(2-ethoxy-2-oxo-ethyl)phosphinic acid, [(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-(2-ethoxy-2-oxoethyl)phosphinic acid, 5-(2-Chloroethyl)-1-{2-deoxy-3-O-[(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-beta-D-erythro-pentofuranosyl}-4-hydroxypyrimidin-2(1H)-one
| 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 | 115365-34-9 |
|---|---|
| SMILES | CCOC(=O)CP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)CCCl |
Product Overview
(((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester (CAS 115365-34-9), with molecular formula C15H22ClN2O9P and molecular weight 440.08 g/mol. IUPAC: [(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-(2-ethoxy-2-oxoethyl)phosphinic acid.
Chemical Property Profile of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester
Property Insights of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester
The XLogP value of -0.2686 indicates that (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl 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 (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl 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 (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester?
The CAS number of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester is 115365-34-9.
What is the molecular formula of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester?
The molecular formula of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester is C15H22ClN2O9P.
What is the molecular weight of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester?
The molecular weight of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester is 440.08 g/mol.
Where can I buy (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester?
You can request a quote for (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy}-hydroxy-phosphoryl)acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.