N-Cyano-4-(trifluoromethyl)benzamidine
TL;DR: N-Cyano-4-(trifluoromethyl)benzamidine (CAS 685541-39-3) is a chemical compound with molecular formula C9H6F3N3 and molecular weight 213.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-cyano-4-(trifluoromethyl)benzenecarboximidamide
Also Known As: N-CYANO-4-(TRIFLUOROMETHYL)BENZAMIDINE, N'-cyano-4-(trifluoromethyl)benzamidine, N-Cyano-4-(trifluoromethyl)benzimidamide, N'-cyano-4-(trifluoromethyl)benzenecarboximidamide, (E)-N'-cyano-4-(trifluoromethyl)benzene-1-carboximidamide
| Molecular Formula | C9H6F3N3 |
|---|---|
| Molecular Weight | 213.05 g/mol |
| LogP | 1.89178 |
| Topological Polar Surface Area | 62.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.05138 |
| Heavy Atoms | 15 |
| Complexity | 411.71408 |
Chemical Identifiers
| CAS Number | 685541-39-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=NC#N)N)C(F)(F)F |
Product Overview
N-Cyano-4-(trifluoromethyl)benzamidine (CAS 685541-39-3), with molecular formula C9H6F3N3 and molecular weight 213.05 g/mol. IUPAC: N'-cyano-4-(trifluoromethyl)benzenecarboximidamide.
Chemical Property Profile of N-Cyano-4-(trifluoromethyl)benzamidine
Property Insights of N-Cyano-4-(trifluoromethyl)benzamidine
The XLogP value of 1.89178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Cyano-4-(trifluoromethyl)benzamidine. The TPSA of 62.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Cyano-4-(trifluoromethyl)benzamidine. Following Lipinski's Rule of Five, N-Cyano-4-(trifluoromethyl)benzamidine has 1 hydrogen bond donor(s) and 2 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-Cyano-4-(trifluoromethyl)benzamidine?
The CAS number of N-Cyano-4-(trifluoromethyl)benzamidine is 685541-39-3.
What is the molecular formula of N-Cyano-4-(trifluoromethyl)benzamidine?
The molecular formula of N-Cyano-4-(trifluoromethyl)benzamidine is C9H6F3N3.
What is the molecular weight of N-Cyano-4-(trifluoromethyl)benzamidine?
The molecular weight of N-Cyano-4-(trifluoromethyl)benzamidine is 213.05 g/mol.
Where can I buy N-Cyano-4-(trifluoromethyl)benzamidine?
You can request a quote for N-Cyano-4-(trifluoromethyl)benzamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyano-4-(trifluoromethyl)benzamidine?
Yes, KEHONG BIO provides custom synthesis services for N-Cyano-4-(trifluoromethyl)benzamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.