benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
TL;DR: benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate (CAS 445385-44-4) is a chemical compound with molecular formula C15H12FN3S and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
Also Known As: 2-benzyl-1-cyano-3-(3-fluorophenyl)isothiourea, benzyl N'-cyano-N-(3-fluorophenyl)imidothiocarbamate, benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate, AM-807/14960443, benzyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate
| Molecular Formula | C15H12FN3S |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 3.81728 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0736 |
| Heavy Atoms | 20 |
| Complexity | 635.06696 |
Chemical Identifiers
| CAS Number | 445385-44-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=NC2=CC(=CC=C2)F)NC#N |
Product Overview
benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate (CAS 445385-44-4), with molecular formula C15H12FN3S and molecular weight 285.07 g/mol. IUPAC: benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate.
Chemical Property Profile of benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
Property Insights of benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
The XLogP value of 3.81728 indicates that benzyl N-cyano-N'-(3-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, benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl N-cyano-N'-(3-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 benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
The CAS number of benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate is 445385-44-4.
What is the molecular formula of benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
The molecular formula of benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate is C15H12FN3S.
What is the molecular weight of benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
The molecular weight of benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate is 285.07 g/mol.
Where can I buy benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
You can request a quote for benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.