2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl-
TL;DR: 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl- (CAS 58458-18-7) is a chemical compound with molecular formula C23H12F6N6O and molecular weight 502.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-cyano-5-(trifluoromethyl)phenyl]-1-[[2-cyano-5-(trifluoromethyl)phenyl]diazenyl]-3-phenylurea
Also Known As: 6-bromo-o-toluidine, SKF 63507, 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl-, 1-[2-cyano-5-(trifluoromethyl)phenyl]-1-[[2-cyano-5-(trifluoromethyl)phenyl]diazenyl]-3-phenylurea, 3-(N-phenylcarbamoyl)-1,3-bis(2-cyano-5-trifluoromethylphenyl)-triazene
| Molecular Formula | C23H12F6N6O |
|---|---|
| Molecular Weight | 502.10 g/mol |
| LogP | 7.20496 |
| Topological Polar Surface Area | 104.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.0977 |
| Heavy Atoms | 36 |
| Complexity | 1387.419 |
Chemical Identifiers
| CAS Number | 58458-18-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)N(C2=C(C=CC(=C2)C(F)(F)F)C#N)N=NC3=C(C=CC(=C3)C(F)(F)F)C#N |
Product Overview
2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl- (CAS 58458-18-7), with molecular formula C23H12F6N6O and molecular weight 502.10 g/mol. IUPAC: 1-[2-cyano-5-(trifluoromethyl)phenyl]-1-[[2-cyano-5-(trifluoromethyl)phenyl]diazenyl]-3-phenylurea.
Chemical Property Profile of 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl-
Property Insights of 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl-
The XLogP value of 7.20496 indicates that 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl-. Following Lipinski's Rule of Five, 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl-?
The CAS number of 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl- is 58458-18-7.
What is the molecular formula of 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl-?
The molecular formula of 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl- is C23H12F6N6O.
What is the molecular weight of 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl-?
The molecular weight of 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl- is 502.10 g/mol.
Where can I buy 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl-?
You can request a quote for 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Triazene-1-carboxamide, 1,3-bis(2-cyano-5-(trifluoromethyl)phenyl)-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.