1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea
TL;DR: 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea (CAS 19088-28-9) is a chemical compound with molecular formula C4H6F3N3O2 and molecular weight 185.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea
Also Known As: 1-methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea, Urea,N-methyl-N-nitroso-N'-(2,2,2-trifluoroethyl)-, N-Methyl-N-nitroso-N'-(2,2,2-trifluoroethyl)carbamimidic acid
| Molecular Formula | C4H6F3N3O2 |
|---|---|
| Molecular Weight | 185.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.04121 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 19088-28-9 |
|---|---|
| SMILES | CN(C(=O)NCC(F)(F)F)N=O |
| InChIKey | NDFOQORAMQZOSH-UHFFFAOYSA-N |
Product Overview
1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea (CAS 19088-28-9), with molecular formula C4H6F3N3O2 and molecular weight 185.04 g/mol. IUPAC: 1-methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea.
Chemical Property Profile of 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea
Property Insights of 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea. Following Lipinski's Rule of Five, 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea has 1 hydrogen bond donor(s) and 6 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-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea?
The CAS number of 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea is 19088-28-9.
What is the molecular formula of 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea?
The molecular formula of 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea is C4H6F3N3O2.
What is the molecular weight of 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea?
The molecular weight of 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea is 185.04 g/mol.
Where can I buy 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea?
You can request a quote for 1-Methyl-1-nitroso-3-(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-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1-nitroso-3-(2,2,2-trifluoroethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.