![1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea structure](/static/products/102/1022157-29-4.png)
1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea
TL;DR: 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea (CAS 1022157-29-4) 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-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea
Also Known As: 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea, N-(2-Amino-1,2-dinitrilovinyl)((4-(trifluoromethyl)phenyl)amino)formamide, 3-(2-amino-1,2-dicyano-ethenyl)-1-[4-(trifluoromethyl)phenyl]urea, 1-[(Z)-2-amino-1,2-dicyano-vinyl]-3-[4-(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 | 649.4461 |
Chemical Identifiers
| CAS Number | 1022157-29-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)NC(=O)N/C(=C(/C#N)\N)/C#N |
Product Overview
1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea (CAS 1022157-29-4), with molecular formula C12H8F3N5O and molecular weight 295.07 g/mol. IUPAC: 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea
Property Insights of 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea
The XLogP value of 2.04436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea. The TPSA of 114.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea. Following Lipinski's Rule of Five, 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea 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 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The CAS number of 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea is 1022157-29-4.
What is the molecular formula of 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The molecular formula of 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea is C12H8F3N5O.
What is the molecular weight of 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The molecular weight of 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea is 295.07 g/mol.
Where can I buy 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea?
You can request a quote for 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-[4-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.