Deoxyhydroxyaspergillic acid
TL;DR: Deoxyhydroxyaspergillic acid (CAS 17005-11-7) is a chemical compound with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)-1H-pyrazin-2-one
Also Known As: Deoxyhydroxyaspergillic acid, ASPERGILLIC ACID, DEOXYHYDROXY-, 2(1H)-Pyrazinone, 6-(1-hydroxy-1-methylpropyl)-3-isobutyl-, 2(1H)-Pyrazinone, 6-(1-hydroxy-1-methylpropyl)-3-(2-methylpropyl)-, 6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)-1H-pyrazin-2-one
| Molecular Formula | C12H20N2O2 |
|---|---|
| Molecular Weight | 224.15 g/mol |
| LogP | 1.5859 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.15248 |
| Heavy Atoms | 16 |
| Complexity | 407.72495 |
Chemical Identifiers
| CAS Number | 17005-11-7 |
|---|---|
| SMILES | CCC(C)(C1=CN=C(C(=O)N1)CC(C)C)O |
Product Overview
Deoxyhydroxyaspergillic acid (CAS 17005-11-7), with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol. IUPAC: 6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)-1H-pyrazin-2-one.
Chemical Property Profile of Deoxyhydroxyaspergillic acid
Property Insights of Deoxyhydroxyaspergillic acid
The XLogP value of 1.5859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxyhydroxyaspergillic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxyhydroxyaspergillic acid. Following Lipinski's Rule of Five, Deoxyhydroxyaspergillic acid 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 Deoxyhydroxyaspergillic acid?
The CAS number of Deoxyhydroxyaspergillic acid is 17005-11-7.
What is the molecular formula of Deoxyhydroxyaspergillic acid?
The molecular formula of Deoxyhydroxyaspergillic acid is C12H20N2O2.
What is the molecular weight of Deoxyhydroxyaspergillic acid?
The molecular weight of Deoxyhydroxyaspergillic acid is 224.15 g/mol.
Where can I buy Deoxyhydroxyaspergillic acid?
You can request a quote for Deoxyhydroxyaspergillic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxyhydroxyaspergillic acid?
Yes, KEHONG BIO provides custom synthesis services for Deoxyhydroxyaspergillic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.