Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)-
TL;DR: Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)- (CAS 63656-25-7) is a chemical compound with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-dimethyl-2-oxobutylidene)piperazin-2-one
Also Known As: 3-(3,3-dimethyl-2-oxobutylidene)piperazin-2-one, Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)-, 2-amino-3H-benzimidazole-5-carbonitrile, 2-pivaloylmethylenetetrahydro-3-pyrazinone, RefChem:372774
| Molecular Formula | C10H16N2O2 |
|---|---|
| Molecular Weight | 196.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.12119 |
| Heavy Atoms | 14 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 63656-25-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)C=C1C(=O)NCCN1 |
| InChIKey | PTQKFCRFHKKTDI-UHFFFAOYSA-N |
Product Overview
Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)- (CAS 63656-25-7), with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol. IUPAC: 3-(3,3-dimethyl-2-oxobutylidene)piperazin-2-one.
Chemical Property Profile of Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)-
Property Insights of Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)-. With a topological polar surface area (TPSA) of 58.2 Ų, Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)- 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-(3,3-dimethyl-2-oxobutylidene)-?
The CAS number of Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)- is 63656-25-7.
What is the molecular formula of Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)-?
The molecular formula of Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)- is C10H16N2O2.
What is the molecular weight of Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)-?
The molecular weight of Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)- is 196.12 g/mol.
Where can I buy Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)-?
You can request a quote for Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Piperazinone, 3-(3,3-dimethyl-2-oxobutylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.