香豆酸
TL;DR: 香豆酸 (CAS 500-05-0) is a chemical compound with molecular formula C6H4O4 and molecular weight 140.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
香豆酸
6-oxopyran-3-carboxylic acid
Also Known As: Coumalic acid, Cumalic acid, 2-Oxo-2H-pyran-5-carboxylic acid, Coumalicacid, 6-oxopyran-3-carboxylic acid
| Molecular Formula | C6H4O4 |
|---|---|
| Molecular Weight | 140.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.01096 |
| Heavy Atoms | 10 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 500-05-0 |
|---|---|
| SMILES | C1=CC(=O)OC=C1C(=O)O |
| InChIKey | ORGPJDKNYMVLFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香豆酸 (CAS 500-05-0), with molecular formula C6H4O4 and molecular weight 140.01 g/mol. IUPAC: 6-oxopyran-3-carboxylic acid.
Chemical Property Profile of 香豆酸
Property Insights of 香豆酸
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 香豆酸. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 香豆酸. Following Lipinski's Rule of Five, 香豆酸 has 1 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 香豆酸?
The CAS number of 香豆酸 is 500-05-0.
What is the molecular formula of 香豆酸?
The molecular formula of 香豆酸 is C6H4O4.
What is the molecular weight of 香豆酸?
The molecular weight of 香豆酸 is 140.01 g/mol.
Where can I buy 香豆酸?
You can request a quote for 香豆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香豆酸?
Yes, KEHONG BIO provides custom synthesis services for 香豆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.