((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide
TL;DR: ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide (CAS 115365-40-7) is a chemical compound with molecular formula C21H27ClN3O8P and molecular weight 515.12244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[anilino-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy]phosphoryl]acetate
Also Known As: ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide, [[1-[5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]-2-deoxy-Beta-D-erythro-pentofuranos-5-yl]-oxy](phenylamino)phosphinecarboxylic acid ethyl ester oxide, 1-{5-O-[Anilino(2-ethoxy-2-oxoethyl)phosphoryl]-2-deoxy-beta-D-erythro-pentofuranosyl}-5-(2-chloroethyl)-4-hydroxypyrimidin-2(1H)-one, 1-{5-O-[Anilino(2-ethoxy-2-oxoethyl)phosphoryl]-2-deoxypentofuranosyl}-5-(2-chloroethyl)-4-hydroxypyrimidin-2(1H)-one, ethyl 2-[anilino-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl]acetate
Technical Specifications
| Molecular Formula | C21H27ClN3O8P |
| Molecular Weight | 515.12244 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 515.12244 Da |
| Heavy Atoms | 34 |
| Complexity | 835.0 |
| SMILES | CCOC(=O)CP(=O)(NC1=CC=CC=C1)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)CCCl)O |
| InChIKey | BPMAKFMGKAGESO-QJWXHWFKSA-N |
Chemical Property Profile of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide
Property Insights of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide. The TPSA of 144.0 Ų indicates high polarity, suggesting ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic 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-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide?
The CAS number of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide is 115365-40-7.
What is the molecular formula of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide?
The molecular formula of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide is C21H27ClN3O8P.
What is the molecular weight of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide?
The molecular weight of ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide is 515.12244 g/mol.
Where can I buy ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide?
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Does CoreyChem offer custom synthesis for ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide?
Yes, CoreyChem provides custom synthesis services for ((1-(5-(2-Chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)(phenylamino)phosphinecarboxylic acid ethyl ester oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.