![(E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide structure](/static/products/797/797797-79-6.png)
(E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide
TL;DR: (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide (CAS 797797-79-6) is a chemical compound with molecular formula C21H22FN3O2S and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-fluorophenyl)-N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]prop-2-enamide
Also Known As: (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide, (E)-3-(4-fluorophenyl)-N-(4-(2-methoxyphenyl)piperazine-1-carbonothioyl)acrylamide, (E)-3-(4-fluorophenyl)-N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]prop-2-enamide, (2E)-3-(4-fluorophenyl)-N-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonothioyl}prop-2-enamide
| Molecular Formula | C21H22FN3O2S |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 3.0708 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.14166 |
| Heavy Atoms | 28 |
| Complexity | 862.20935 |
Chemical Identifiers
| CAS Number | 797797-79-6 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=S)NC(=O)/C=C/C3=CC=C(C=C3)F |
Product Overview
(E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide (CAS 797797-79-6), with molecular formula C21H22FN3O2S and molecular weight 399.14 g/mol. IUPAC: (E)-3-(4-fluorophenyl)-N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]prop-2-enamide.
Chemical Property Profile of (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide
Property Insights of (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide
The XLogP value of 3.0708 indicates that (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide 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 (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide?
The CAS number of (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide is 797797-79-6.
What is the molecular formula of (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide?
The molecular formula of (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide is C21H22FN3O2S.
What is the molecular weight of (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide?
The molecular weight of (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide is 399.14 g/mol.
Where can I buy (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide?
You can request a quote for (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-Fluoro-phenyl)-N-[4-(2-methoxy-phenyl)-piperazine-1-carbothioyl]-acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.