2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate
TL;DR: 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate (CAS 445385-67-1) is a chemical compound with molecular formula C18H16F3N3OS and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(trifluoromethyl)phenyl]methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate
Also Known As: 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate, AM-807/14960874, [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate, 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)imidothiocarbamate, (Z)-2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate
| Molecular Formula | C18H16F3N3OS |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 5.09568 |
| Topological Polar Surface Area | 57.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.09662 |
| Heavy Atoms | 26 |
| Complexity | 798.564 |
Chemical Identifiers
| CAS Number | 445385-67-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=C(NC#N)SCC2=CC=CC=C2C(F)(F)F |
Product Overview
2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate (CAS 445385-67-1), with molecular formula C18H16F3N3OS and molecular weight 379.10 g/mol. IUPAC: [2-(trifluoromethyl)phenyl]methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate.
Chemical Property Profile of 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate
Property Insights of 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate
The XLogP value of 5.09568 indicates that 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.41 Ų, 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate?
The CAS number of 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate is 445385-67-1.
What is the molecular formula of 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate?
The molecular formula of 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate is C18H16F3N3OS.
What is the molecular weight of 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate?
The molecular weight of 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate is 379.10 g/mol.
Where can I buy 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate?
You can request a quote for 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(trifluoromethyl)benzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.