3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine
TL;DR: 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine (CAS 96699-73-9) is a chemical compound with molecular formula C12H16ClN5O6 and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-1-nitrosourea
Also Known As: 3'-Cdunu, 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine, 1-(2-chloroethyl)-3-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-1-nitrosourea, 3'-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}-2',3'-dideoxyuridine, Uridine, 3'-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2',3'-dideoxy-
| Molecular Formula | C12H16ClN5O6 |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | -0.8832 |
| Topological Polar Surface Area | 146.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.07892 |
| Heavy Atoms | 24 |
| Complexity | 705.6691 |
Chemical Identifiers
| CAS Number | 96699-73-9 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)NC(=O)N(CCCl)N=O |
Product Overview
3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine (CAS 96699-73-9), with molecular formula C12H16ClN5O6 and molecular weight 361.08 g/mol. IUPAC: 1-(2-chloroethyl)-3-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-1-nitrosourea.
Chemical Property Profile of 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine
Property Insights of 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine
The XLogP value of -0.8832 indicates that 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.09 Ų indicates high polarity, suggesting 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine has 3 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 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine?
The CAS number of 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine is 96699-73-9.
What is the molecular formula of 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine?
The molecular formula of 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine is C12H16ClN5O6.
What is the molecular weight of 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine?
The molecular weight of 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine is 361.08 g/mol.
Where can I buy 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine?
You can request a quote for 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 3' (3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.