![(3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one structure](/static/products/177/177901-89-2.png)
(3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one
TL;DR: (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one (CAS 177901-89-2) is a chemical compound with molecular formula C12H11FN2O2 and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one
Also Known As: (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one, (E)-3-(2-(4-fluorophenyl)-2-oxoethylidene)piperazin-2-one
| Molecular Formula | C12H11FN2O2 |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.08046 |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 177901-89-2 |
|---|---|
| SMILES | C1CNC(=O)/C(=C\C(=O)C2=CC=C(C=C2)F)/N1 |
| InChIKey | WMWJQAJQHVDGQG-JXMROGBWSA-N |
Product Overview
(3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one (CAS 177901-89-2), with molecular formula C12H11FN2O2 and molecular weight 234.08 g/mol. IUPAC: (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one.
Chemical Property Profile of (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one
Property Insights of (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one. With a topological polar surface area (TPSA) of 58.2 Ų, (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one has 2 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 (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one?
The CAS number of (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one is 177901-89-2.
What is the molecular formula of (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one?
The molecular formula of (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one is C12H11FN2O2.
What is the molecular weight of (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one?
The molecular weight of (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one is 234.08 g/mol.
Where can I buy (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one?
You can request a quote for (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.