曲霉酸
TL;DR: 曲霉酸 (CAS 490-02-8) 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.
曲霉酸
6-butan-2-yl-1-hydroxy-3-(2-methylpropyl)pyrazin-2-one
Also Known As: ASPERGILLIC ACID, Granegillin, Aspergillic acid, DL-, dl-aspergillic acid, Aspergillic acid, (+/-)-
| Molecular Formula | C12H20N2O2 |
|---|---|
| Molecular Weight | 224.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.15248 |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 490-02-8 |
|---|---|
| SMILES | CCC(C)C1=CN=C(C(=O)N1O)CC(C)C |
| InChIKey | IUZCDJYHMMWBBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
曲霉酸 (CAS 490-02-8), with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol. IUPAC: 6-butan-2-yl-1-hydroxy-3-(2-methylpropyl)pyrazin-2-one.
Chemical Property Profile of 曲霉酸
Property Insights of 曲霉酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 曲霉酸. With a topological polar surface area (TPSA) of 52.9 Ų, 曲霉酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 曲霉酸 has 1 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 曲霉酸?
The CAS number of 曲霉酸 is 490-02-8.
What is the molecular formula of 曲霉酸?
The molecular formula of 曲霉酸 is C12H20N2O2.
What is the molecular weight of 曲霉酸?
The molecular weight of 曲霉酸 is 224.15 g/mol.
Where can I buy 曲霉酸?
You can request a quote for 曲霉酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 曲霉酸?
Yes, KEHONG BIO provides custom synthesis services for 曲霉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.