1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea
TL;DR: 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea (CAS 13908-99-1) is a chemical compound with molecular formula C5H5F6N3O2 and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroso-1,3-bis(2,2,2-trifluoroethyl)urea
Also Known As: 1-nitroso-1,3-bis(2,2,2-trifluoroethyl)urea, Urea,n-nitroso-n,n-bis(2,2,2-trifluoroethyl)-, Urea,N-nitroso-N,N'-bis(2,2,2-trifluoroethyl)-, N-Nitroso-N,N'-bis(2,2,2-trifluoroethyl)carbamimidic acid, Urea, 1,1 inverted exclamation mark(R)-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-
| Molecular Formula | C5H5F6N3O2 |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.0286 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 13908-99-1 |
|---|---|
| SMILES | C(C(F)(F)F)NC(=O)N(CC(F)(F)F)N=O |
| InChIKey | FEZFRMCEKOVSHU-UHFFFAOYSA-N |
Product Overview
1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea (CAS 13908-99-1), with molecular formula C5H5F6N3O2 and molecular weight 253.03 g/mol. IUPAC: 1-nitroso-1,3-bis(2,2,2-trifluoroethyl)urea.
Chemical Property Profile of 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea
Property Insights of 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea. Following Lipinski's Rule of Five, 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea has 1 hydrogen bond donor(s) and 9 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 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea?
The CAS number of 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea is 13908-99-1.
What is the molecular formula of 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea?
The molecular formula of 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea is C5H5F6N3O2.
What is the molecular weight of 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea?
The molecular weight of 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea is 253.03 g/mol.
Where can I buy 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea?
You can request a quote for 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroso-1,3-bis(2,2,2-trifluoroethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.