1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
TL;DR: 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate (CAS 445385-45-5) 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.
1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
Also Known As: 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate, 1-phenylethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate, AM-807/14960462, 1-phenylethyl N'-cyano-N-(3-fluorophenyl)imidothiocarbamate, (E)-1-phenylethyl N'-cyano-N-(3-fluorophenyl)carbamimidothioate
| Molecular Formula | C16H14FN3S |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 4.37828 |
| 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 | 664.72235 |
Chemical Identifiers
| CAS Number | 445385-45-5 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)SC(=NC2=CC(=CC=C2)F)NC#N |
Product Overview
1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate (CAS 445385-45-5), with molecular formula C16H14FN3S and molecular weight 299.09 g/mol. IUPAC: 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate.
Chemical Property Profile of 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
Property Insights of 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
The XLogP value of 4.37828 indicates that 1-phenylethyl 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, 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-phenylethyl 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 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
The CAS number of 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate is 445385-45-5.
What is the molecular formula of 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
The molecular formula of 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate is C16H14FN3S.
What is the molecular weight of 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
The molecular weight of 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate is 299.09 g/mol.
Where can I buy 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
You can request a quote for 1-phenylethyl 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 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 1-phenylethyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.