Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI)
TL;DR: Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI) (CAS 115365-39-4) is a chemical compound with molecular formula C13H18ClN2O9P and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-2-oxoethyl]phosphonic acid
Also Known As: Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI), Phosphono-acetic acid (2R,3S,5R)-5-(5-(2-chloroethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester, [2-[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-2-oxo-ethyl]phosphonic acid, [2-[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-2-oxoethyl]phosphonic acid, 5-(2-Chloroethyl)-1-[2-deoxy-3-O-(phosphonoacetyl)-beta-D-erythro-pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one
| Molecular Formula | C13H18ClN2O9P |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | -1.3128 |
| Topological Polar Surface Area | 168.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.04385 |
| Heavy Atoms | 26 |
| Complexity | 816.5681 |
Chemical Identifiers
| CAS Number | 115365-39-4 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCl)CO)OC(=O)CP(=O)(O)O |
Product Overview
Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI) (CAS 115365-39-4), with molecular formula C13H18ClN2O9P and molecular weight 412.04 g/mol. IUPAC: [2-[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-2-oxoethyl]phosphonic acid.
Chemical Property Profile of Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI)
Property Insights of Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI)
The XLogP value of -1.3128 indicates that Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.15 Ų indicates high polarity, suggesting Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI) has 4 hydrogen bond donor(s) and 7 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 Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI)?
The CAS number of Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI) is 115365-39-4.
What is the molecular formula of Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI)?
The molecular formula of Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI) is C13H18ClN2O9P.
What is the molecular weight of Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI)?
The molecular weight of Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI) is 412.04 g/mol.
Where can I buy Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI)?
You can request a quote for Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-(phosphonoacetate) (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.