1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one
TL;DR: 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one (CAS 957-86-8) is a chemical compound with molecular formula C12H20N2O4 and molecular weight 256.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dihydroxy-3,6-bis(2-methylpropyl)-4-oxidopyrazin-4-ium-2-one
Also Known As: Pulcherriminic acid, 2,5-Diisobutyl-3,6-dihydroxy-pyrazine-1,4-dioxide, 3,6-diisobutylpyrazine-2,5-diol 1,4-dioxide, 1,5-dihydroxy-3,6-bis(2-methylpropyl)-4-oxidopyrazin-4-ium-2-one, 2,5-Pyrazinediol, 3,6-bis(2-methylpropyl)-, 1,4-dioxide
| Molecular Formula | C12H20N2O4 |
|---|---|
| Molecular Weight | 256.14 g/mol |
| LogP | 0.8216 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.1423 |
| Heavy Atoms | 18 |
| Complexity | 491.83127 |
Chemical Identifiers
| CAS Number | 957-86-8 |
|---|---|
| SMILES | CC(C)CC1=C([N+](=C(C(=O)N1O)CC(C)C)[O-])O |
Product Overview
1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one (CAS 957-86-8), with molecular formula C12H20N2O4 and molecular weight 256.14 g/mol. IUPAC: 1,5-dihydroxy-3,6-bis(2-methylpropyl)-4-oxidopyrazin-4-ium-2-one.
Chemical Property Profile of 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one
Property Insights of 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one
The XLogP value of 0.8216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one. Following Lipinski's Rule of Five, 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one has 2 hydrogen bond donor(s) and 4 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 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one?
The CAS number of 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one is 957-86-8.
What is the molecular formula of 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one?
The molecular formula of 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one is C12H20N2O4.
What is the molecular weight of 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one?
The molecular weight of 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one is 256.14 g/mol.
Where can I buy 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one?
You can request a quote for 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-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 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dihydroxy-3,6-bis(2-methylpropyl)-4-oxo-4lambda~5~-pyrazin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.