(2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate
TL;DR: (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate (CAS 445385-32-0) is a chemical compound with molecular formula C16H14FN3S and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate
Also Known As: 2-methylbenzyl N'-cyano-N-(2-fluorophenyl)imidothiocarbamate, AM-807/14960349, (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate
| Molecular Formula | C16H14FN3S |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 4.1257 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.08923 |
| Heavy Atoms | 21 |
| Complexity | 691.9166 |
Chemical Identifiers
| CAS Number | 445385-32-0 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC(=NC2=CC=CC=C2F)NC#N |
Product Overview
(2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate (CAS 445385-32-0), with molecular formula C16H14FN3S and molecular weight 299.09 g/mol. IUPAC: (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate.
Chemical Property Profile of (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate
Property Insights of (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate
The XLogP value of 4.1257 indicates that (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.18 Ų, (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate has 1 hydrogen bond donor(s) and 3 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 (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate?
The CAS number of (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate is 445385-32-0.
What is the molecular formula of (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate?
The molecular formula of (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate is C16H14FN3S.
What is the molecular weight of (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate?
The molecular weight of (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate is 299.09 g/mol.
Where can I buy (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate?
You can request a quote for (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (2-methylphenyl)methyl N-cyano-N'-(2-fluorophenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.