3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine
TL;DR: 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine (CAS 3879-08-1) is a chemical compound with molecular formula C12H15ClFN5O6 and molecular weight 379.07 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-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-1-nitrosourea
Also Known As: Infusamine, 3'-Cfdunu, 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine, 3'-{[(2-chloroethyl)(nitroso)carbamoyl]amino}-2',3'-dideoxy-5-fluorouridine, 3'-[3-(2-chloroethyl)-3-nitrosoureido]-2',3'-dideoxy-5-fluorouridine
| Molecular Formula | C12H15ClFN5O6 |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.0695 |
| Heavy Atoms | 25 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 3879-08-1 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)NC(=O)N(CCCl)N=O |
| InChIKey | AQMNBSBCJPFTAD-DJLDLDEBSA-N |
Product Overview
3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine (CAS 3879-08-1), with molecular formula C12H15ClFN5O6 and molecular weight 379.07 g/mol. IUPAC: 1-(2-chloroethyl)-3-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-1-nitrosourea.
Chemical Property Profile of 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine
Property Insights of 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine
The XLogP value of -0.9 indicates that 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine 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 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine?
The CAS number of 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine is 3879-08-1.
What is the molecular formula of 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine?
The molecular formula of 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine is C12H15ClFN5O6.
What is the molecular weight of 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine?
The molecular weight of 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine is 379.07 g/mol.
Where can I buy 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine?
You can request a quote for 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine 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'-dideoxy-5-fluorouridine?
Yes, KEHONG BIO provides custom synthesis services for 3'-(3-(2-Chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.