曲酸
TL;DR: 曲酸 (CAS 501-30-4) is a chemical compound with molecular formula C6H6O4 and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
曲酸
5-hydroxy-2-(hydroxymethyl)pyran-4-one
Also Known As: kojic acid, 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one, acido kojico, kojate, phenylbutazone
| Molecular Formula | C6H6O4 |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.02661 |
| Heavy Atoms | 10 |
| Complexity | 214.0 |
| Melting Point | 153.5 |
| Solubility | Soluble in ethanol, ethyl ether, acetone, DMSO; slightly soluble in benzene |
Chemical Identifiers
| CAS Number | 501-30-4 |
|---|---|
| SMILES | C1=C(OC=C(C1=O)O)CO |
| InChIKey | BEJNERDRQOWKJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
曲酸 (CAS 501-30-4), with molecular formula C6H6O4 and molecular weight 142.03 g/mol. IUPAC: 5-hydroxy-2-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of 曲酸
Property Insights of 曲酸
The XLogP value of -0.9 indicates that 曲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 曲酸. Following Lipinski's Rule of Five, 麴酸 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 麴酸?
The CAS number of 麴酸 is 501-30-4.
What is the molecular formula of 麴酸?
The molecular formula of 麴酸 is C6H6O4.
What is the molecular weight of 麴酸?
The molecular weight of 麴酸 is 142.03 g/mol.
Where can I buy 麴酸?
You can request a quote for 麴酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 麴酸?
Yes, KEHONG BIO provides custom synthesis services for 麴酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.