(E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide
TL;DR: (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide (CAS 885182-08-1) is a chemical compound with molecular formula C21H21FN4O and molecular weight 364.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide
Also Known As: VU0605218-1, (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide, (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide, F3225-7673, 3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide
| Molecular Formula | C21H21FN4O |
|---|---|
| Molecular Weight | 364.17 g/mol |
| LogP | 2.98948 |
| Topological Polar Surface Area | 59.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.16995 |
| Heavy Atoms | 27 |
| Complexity | 834.73535 |
Chemical Identifiers
| CAS Number | 885182-08-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)F |
Product Overview
(E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide (CAS 885182-08-1), with molecular formula C21H21FN4O and molecular weight 364.17 g/mol. IUPAC: (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide.
Chemical Property Profile of (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide
Property Insights of (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide
The XLogP value of 2.98948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide. With a topological polar surface area (TPSA) of 59.37 Ų, (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)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-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide?
The CAS number of (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide is 885182-08-1.
What is the molecular formula of (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide?
The molecular formula of (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide is C21H21FN4O.
What is the molecular weight of (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide?
The molecular weight of (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide is 364.17 g/mol.
Where can I buy (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide?
You can request a quote for (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)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-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-benzylpiperazin-1-yl)-2-cyano-N-(4-fluorophenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.