3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one
TL;DR: 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one (CAS 128972-00-9) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)-5-phenyl-1H-pyrazin-2-one
Also Known As: 3-(2-methylpropyl)-5-phenyl-1H-pyrazin-2-one, 3-Isobutyl-5-phenylpyrazin-2(1H)-one, 3-isobutyl-5-phenylpyrazin-2-ol, 3-(2-METHYLPROPYL)-5-PHENYL-2(1H)-PYRAZINONE, 1,2-Difluoro-1,1,2-trichloroethane
| Molecular Formula | C14H16N2O |
|---|---|
| Molecular Weight | 228.13 g/mol |
| LogP | 2.6354 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.12627 |
| Heavy Atoms | 17 |
| Complexity | 543.6487 |
Chemical Identifiers
| CAS Number | 128972-00-9 |
|---|---|
| SMILES | CC(C)CC1=NC(=CNC1=O)C2=CC=CC=C2 |
Product Overview
3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one (CAS 128972-00-9), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: 3-(2-methylpropyl)-5-phenyl-1H-pyrazin-2-one.
Chemical Property Profile of 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one
Property Insights of 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one
The XLogP value of 2.6354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one has 1 hydrogen bond donor(s) and 2 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-Methylpropyl)-5-phenylpyrazin-2(1H)-one?
The CAS number of 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one is 128972-00-9.
What is the molecular formula of 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one?
The molecular formula of 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one is C14H16N2O.
What is the molecular weight of 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one?
The molecular weight of 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one is 228.13 g/mol.
Where can I buy 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one?
You can request a quote for 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methylpropyl)-5-phenylpyrazin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.