![3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide structure](/static/products/3384/338422-39-2.webp)
3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide
TL;DR: 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide (CAS 338422-39-2) is a chemical compound with molecular formula C15H18FN5S and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylprop-2-enethioamide
Also Known As: 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide, 4H-909, (E)-3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylprop-2-enethioamide, 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylprop-2-enethioamide, 3-Amino-2-cyano-3-[4-(4-fluorophenyl)piperazino] -N-methyl-2-propenethioamide
| Molecular Formula | C15H18FN5S |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 1.18838 |
| Topological Polar Surface Area | 68.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.1267 |
| Heavy Atoms | 22 |
| Complexity | 611.8151 |
Chemical Identifiers
| CAS Number | 338422-39-2 |
|---|---|
| SMILES | CNC(=S)/C(=C(\N)/N1CCN(CC1)C2=CC=C(C=C2)F)/C#N |
Product Overview
3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide (CAS 338422-39-2), with molecular formula C15H18FN5S and molecular weight 319.13 g/mol. IUPAC: (E)-3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylprop-2-enethioamide.
Chemical Property Profile of 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide
Property Insights of 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide
The XLogP value of 1.18838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide. The TPSA of 68.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide. Following Lipinski's Rule of Five, 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide has 2 hydrogen bond donor(s) and 5 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 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide?
The CAS number of 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide is 338422-39-2.
What is the molecular formula of 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide?
The molecular formula of 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide is C15H18FN5S.
What is the molecular weight of 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide?
The molecular weight of 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide is 319.13 g/mol.
Where can I buy 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide?
You can request a quote for 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.