(Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
TL;DR: (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester (CAS 115365-32-7) is a chemical compound with molecular formula C14H18BrN2O9P and molecular weight 467.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic acid
Also Known As: (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester, (Ethoxycarbonyl) phosphonic acid 1-[5-(E)-(2-bromo-vinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-deoxy-Beta-D-erythro-pentofuranos-5-yl ester, [(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic acid, [(2R,3S,5R)-5-[5-[(E)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-ethoxycarbonyl-phosphinic acid
| Molecular Formula | C14H18BrN2O9P |
|---|---|
| Molecular Weight | 467.99 g/mol |
| LogP | 0.9091 |
| Topological Polar Surface Area | 157.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.99332 |
| Heavy Atoms | 27 |
| Complexity | 880.07434 |
Chemical Identifiers
| CAS Number | 115365-32-7 |
|---|---|
| SMILES | CCOC(=O)P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)/C=C/Br)O |
Product Overview
(Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester (CAS 115365-32-7), with molecular formula C14H18BrN2O9P and molecular weight 467.99 g/mol. IUPAC: [(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic acid.
Chemical Property Profile of (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
Property Insights of (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
The XLogP value of 0.9091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester. The TPSA of 157.15 Ų indicates high polarity, suggesting (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-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) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-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) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The CAS number of (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is 115365-32-7.
What is the molecular formula of (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The molecular formula of (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is C14H18BrN2O9P.
What is the molecular weight of (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The molecular weight of (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is 467.99 g/mol.
Where can I buy (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
You can request a quote for (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-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) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
Yes, KEHONG BIO provides custom synthesis services for (Ethoxycarbonyl) phosphonic acid 1-(5-(E)-(2-bromovinyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.