Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-
TL;DR: Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)- (CAS 63884-76-4) is a chemical compound with molecular formula C12H11BrN2O2 and molecular weight 294.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-one
Also Known As: (3Z)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-one, Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-, 2-amino-3H-benzimidazole-5-carbonitrile, BAS 01157159, 5-24-08-00203 (Beilstein Handbook Reference)
| Molecular Formula | C12H11BrN2O2 |
|---|---|
| Molecular Weight | 294.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.0004 |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 63884-76-4 |
|---|---|
| SMILES | C1CNC(=O)/C(=C/C(=O)C2=CC=C(C=C2)Br)/N1 |
| InChIKey | ZIEULCWGCAWXEX-YFHOEESVSA-N |
Product Overview
Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)- (CAS 63884-76-4), with molecular formula C12H11BrN2O2 and molecular weight 294.00 g/mol. IUPAC: (3Z)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-one.
Chemical Property Profile of Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-
Property Insights of Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-. With a topological polar surface area (TPSA) of 58.2 Ų, Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)- has 2 hydrogen bond donor(s) and 3 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 Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-?
The CAS number of Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)- is 63884-76-4.
What is the molecular formula of Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-?
The molecular formula of Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)- is C12H11BrN2O2.
What is the molecular weight of Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-?
The molecular weight of Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)- is 294.00 g/mol.
Where can I buy Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-?
You can request a quote for Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.