(4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate
TL;DR: (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate (CAS 445385-66-0) is a chemical compound with molecular formula C17H16FN3OS and molecular weight 329.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate
Also Known As: (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate, 4-fluorobenzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate, AM-807/14960858, 4-fluorobenzyl N'-cyano-N-(4-ethoxyphenyl)imidothiocarbamate, (Z)-4-fluorobenzyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate
| Molecular Formula | C17H16FN3OS |
|---|---|
| Molecular Weight | 329.10 g/mol |
| LogP | 4.21598 |
| Topological Polar Surface Area | 57.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.09982 |
| Heavy Atoms | 23 |
| Complexity | 693.27356 |
Chemical Identifiers
| CAS Number | 445385-66-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=C(NC#N)SCC2=CC=C(C=C2)F |
Product Overview
(4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate (CAS 445385-66-0), with molecular formula C17H16FN3OS and molecular weight 329.10 g/mol. IUPAC: (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate.
Chemical Property Profile of (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate
Property Insights of (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate
The XLogP value of 4.21598 indicates that (4-fluorophenyl)methyl 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, (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)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 (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate?
The CAS number of (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate is 445385-66-0.
What is the molecular formula of (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate?
The molecular formula of (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate is C17H16FN3OS.
What is the molecular weight of (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate?
The molecular weight of (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate is 329.10 g/mol.
Where can I buy (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate?
You can request a quote for (4-fluorophenyl)methyl 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 (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (4-fluorophenyl)methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.