N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide
TL;DR: N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide (CAS 1025277-29-5) is a chemical compound with molecular formula C12H8F3N5O and molecular weight 295.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-amino-1,2-dicyanoethenyl)-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide, 1-(2-amino-1,2-dicyano-vinyl)-3-[3-(trifluoromethyl)phenyl]urea, 1-(2-amino-1,2-dicyanoethenyl)-3-[3-(trifluoromethyl)phenyl]urea, 3-(2-amino-1,2-dicyano-ethenyl)-1-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C12H8F3N5O |
|---|---|
| Molecular Weight | 295.07 g/mol |
| LogP | 2.04436 |
| Topological Polar Surface Area | 114.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.06808 |
| Heavy Atoms | 21 |
| Complexity | 666.6961 |
Chemical Identifiers
| CAS Number | 1025277-29-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NC(=C(C#N)N)C#N)C(F)(F)F |
Product Overview
N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide (CAS 1025277-29-5), with molecular formula C12H8F3N5O and molecular weight 295.07 g/mol. IUPAC: 1-(2-amino-1,2-dicyanoethenyl)-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide
Property Insights of N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide
The XLogP value of 2.04436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide. The TPSA of 114.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide. Following Lipinski's Rule of Five, N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide has 3 hydrogen bond donor(s) and 4 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 N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide?
The CAS number of N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide is 1025277-29-5.
What is the molecular formula of N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide?
The molecular formula of N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide is C12H8F3N5O.
What is the molecular weight of N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide?
The molecular weight of N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide is 295.07 g/mol.
Where can I buy N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide?
You can request a quote for N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-amino-1,2-dinitrilovinyl)((3-(trifluoromethyl)phenyl)amino)formamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.