![3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate structure](/static/products/4453/445385-61-5.webp)
3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
TL;DR: 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate (CAS 445385-61-5) is a chemical compound with molecular formula C17H14F3N3OS and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxyphenyl)methyl N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
Also Known As: AM-807/14960791, 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate, (3-methoxyphenyl)methyl N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate, 3-methoxybenzyl N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidothioate, 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]imidothiocarbamate
| Molecular Formula | C17H14F3N3OS |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 4.70558 |
| Topological Polar Surface Area | 57.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.08096 |
| Heavy Atoms | 25 |
| Complexity | 800.21045 |
Chemical Identifiers
| CAS Number | 445385-61-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC(=NC2=CC=CC(=C2)C(F)(F)F)NC#N |
Product Overview
3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate (CAS 445385-61-5), with molecular formula C17H14F3N3OS and molecular weight 365.08 g/mol. IUPAC: (3-methoxyphenyl)methyl N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate.
Chemical Property Profile of 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
Property Insights of 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate
The XLogP value of 4.70558 indicates that 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]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, 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate has 1 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 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate?
The CAS number of 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate is 445385-61-5.
What is the molecular formula of 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate?
The molecular formula of 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate is C17H14F3N3OS.
What is the molecular weight of 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate?
The molecular weight of 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate is 365.08 g/mol.
Where can I buy 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate?
You can request a quote for 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxybenzyl N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.