Bis-(fluoroethyl)nitrosourea
TL;DR: Bis-(fluoroethyl)nitrosourea (CAS 13908-91-3) is a chemical compound with molecular formula C5H9F2N3O2 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2-fluoroethyl)-1-nitrosourea
Also Known As: BFNU, Bis(fluoroethyl)nitrosourea, 1,3-Bis(2-fluoroethyl)-1-nitrosourea, Bis-(fluoroethyl)nitrosourea, Urea, 1,3-bis(2-fluoroethyl)-1-nitroso-
| Molecular Formula | C5H9F2N3O2 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.06628 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 13908-91-3 |
|---|---|
| SMILES | C(CF)NC(=O)N(CCF)N=O |
| InChIKey | GWRLHZIGYXCDKL-UHFFFAOYSA-N |
Product Overview
Bis-(fluoroethyl)nitrosourea (CAS 13908-91-3), with molecular formula C5H9F2N3O2 and molecular weight 181.07 g/mol. IUPAC: 1,3-bis(2-fluoroethyl)-1-nitrosourea.
Chemical Property Profile of Bis-(fluoroethyl)nitrosourea
Property Insights of Bis-(fluoroethyl)nitrosourea
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis-(fluoroethyl)nitrosourea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis-(fluoroethyl)nitrosourea. Following Lipinski's Rule of Five, Bis-(fluoroethyl)nitrosourea has 1 hydrogen bond donor(s) and 5 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 Bis-(fluoroethyl)nitrosourea?
The CAS number of Bis-(fluoroethyl)nitrosourea is 13908-91-3.
What is the molecular formula of Bis-(fluoroethyl)nitrosourea?
The molecular formula of Bis-(fluoroethyl)nitrosourea is C5H9F2N3O2.
What is the molecular weight of Bis-(fluoroethyl)nitrosourea?
The molecular weight of Bis-(fluoroethyl)nitrosourea is 181.07 g/mol.
Where can I buy Bis-(fluoroethyl)nitrosourea?
You can request a quote for Bis-(fluoroethyl)nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis-(fluoroethyl)nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for Bis-(fluoroethyl)nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.