氯曲酸
TL;DR: 氯曲酸 (CAS 7559-81-1) is a chemical compound with molecular formula C6H5ClO3 and molecular weight 159.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯曲酸
2-(chloromethyl)-5-hydroxypyran-4-one
Also Known As: Chlorokojic acid, 2-(Chloromethyl)-5-hydroxy-4H-pyran-4-one, chloro-kojic acid, 2-Chrorokojic acid, CHLORO KOJIC ACID
| Molecular Formula | C6H5ClO3 |
|---|---|
| Molecular Weight | 159.99 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.99272 |
| Heavy Atoms | 10 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 7559-81-1 |
|---|---|
| SMILES | C1=C(OC=C(C1=O)O)CCl |
| InChIKey | WSVIQCQIJLDTEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯曲酸 (CAS 7559-81-1), with molecular formula C6H5ClO3 and molecular weight 159.99 g/mol. IUPAC: 2-(chloromethyl)-5-hydroxypyran-4-one.
Chemical Property Profile of 氯曲酸
Property Insights of 氯曲酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯曲酸. With a topological polar surface area (TPSA) of 46.5 Ų, 氯曲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯曲酸 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 氯曲酸?
The CAS number of 氯曲酸 is 7559-81-1.
What is the molecular formula of 氯曲酸?
The molecular formula of 氯曲酸 is C6H5ClO3.
What is the molecular weight of 氯曲酸?
The molecular weight of 氯曲酸 is 159.99 g/mol.
Where can I buy 氯曲酸?
You can request a quote for 氯曲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯曲酸?
Yes, KEHONG BIO provides custom synthesis services for 氯曲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.