Neohydroxyaspergillic Acid
TL;DR: Neohydroxyaspergillic Acid (CAS 2240-12-2) is a chemical compound with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-6-(1-hydroxy-2-methylpropyl)-3-(2-methylpropyl)pyrazin-2-one
Also Known As: Neohydroxyaspergillic Acid, J3.512.031I, 1-hydroxy-6-(1-hydroxy-2-methylpropyl)-3-(2-methylpropyl)pyrazin-2-one, 1-Hydroxy-3-(2-methylpropyl)-6-(1-hydroxy-2-methylpropyl)pyrazine-2(1H)-one, 1-hydroxy-6-(1-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-1,2-dihydropyrazin-2-one
| Molecular Formula | C12H20N2O3 |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.1474 |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 2240-12-2 |
|---|---|
| SMILES | CC(C)CC1=NC=C(N(C1=O)O)C(C(C)C)O |
| InChIKey | QTTAJMQGQJRLDK-UHFFFAOYSA-N |
Product Overview
Neohydroxyaspergillic Acid (CAS 2240-12-2), with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol. IUPAC: 1-hydroxy-6-(1-hydroxy-2-methylpropyl)-3-(2-methylpropyl)pyrazin-2-one.
Chemical Property Profile of Neohydroxyaspergillic Acid
Property Insights of Neohydroxyaspergillic Acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neohydroxyaspergillic Acid. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Neohydroxyaspergillic Acid. Following Lipinski's Rule of Five, Neohydroxyaspergillic Acid 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 Neohydroxyaspergillic Acid?
The CAS number of Neohydroxyaspergillic Acid is 2240-12-2.
What is the molecular formula of Neohydroxyaspergillic Acid?
The molecular formula of Neohydroxyaspergillic Acid is C12H20N2O3.
What is the molecular weight of Neohydroxyaspergillic Acid?
The molecular weight of Neohydroxyaspergillic Acid is 240.15 g/mol.
Where can I buy Neohydroxyaspergillic Acid?
You can request a quote for Neohydroxyaspergillic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neohydroxyaspergillic Acid?
Yes, KEHONG BIO provides custom synthesis services for Neohydroxyaspergillic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.