6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one
TL;DR: 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one (CAS 21766-17-6) is a chemical compound with molecular formula C12H20N2O and molecular weight 208.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butan-2-yl-3-(2-methylpropyl)-1H-pyrazin-2-one
Also Known As: Deoxyaspergillic acid, ASPERGILLIC ACID, DEOXY-, 6- -3- pyrazin-2 -one, 6-Sec-butyl-3-isobutylpyrazin-2-ol, 3-isobutyl-6-sec-butyl-pyrazin-2-ol
| Molecular Formula | C12H20N2O |
|---|---|
| Molecular Weight | 208.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.15756 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 21766-17-6 |
|---|---|
| SMILES | CCC(C)C1=CN=C(C(=O)N1)CC(C)C |
| InChIKey | NQUCTITVLHEDIU-UHFFFAOYSA-N |
Product Overview
6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one (CAS 21766-17-6), with molecular formula C12H20N2O and molecular weight 208.16 g/mol. IUPAC: 6-butan-2-yl-3-(2-methylpropyl)-1H-pyrazin-2-one.
Chemical Property Profile of 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one
Property Insights of 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one. With a topological polar surface area (TPSA) of 41.5 Ų, 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-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 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one?
The CAS number of 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one is 21766-17-6.
What is the molecular formula of 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one?
The molecular formula of 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one is C12H20N2O.
What is the molecular weight of 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one?
The molecular weight of 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one is 208.16 g/mol.
Where can I buy 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one?
You can request a quote for 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-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 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.