3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone
TL;DR: 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone (CAS 178408-17-8) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-1-methylpiperazin-2-one
Also Known As: (R)-2-Hydroxymethylbutanoic acid, 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methylpiperazinone, 3-[2-(2,4-Dimethylphenyl)-2-oxoethylidene]-1-methyl-2-piperazinone, 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone, 3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-1-methylpiperazin-2-one
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 1.43164 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 561.26404 |
Chemical Identifiers
| CAS Number | 178408-17-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)C=C2C(=O)N(CCN2)C)C |
Product Overview
3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone (CAS 178408-17-8), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: 3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-1-methylpiperazin-2-one.
Chemical Property Profile of 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone
Property Insights of 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone
The XLogP value of 1.43164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone. With a topological polar surface area (TPSA) of 49.41 Ų, 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone has 1 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 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone?
The CAS number of 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone is 178408-17-8.
What is the molecular formula of 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone?
The molecular formula of 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone is C15H18N2O2.
What is the molecular weight of 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone?
The molecular weight of 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone is 258.14 g/mol.
Where can I buy 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone?
You can request a quote for 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-1-methyl-2-piperazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.