6-Carboxycoumarin
TL;DR: 6-Carboxycoumarin (CAS 7734-80-7) is a chemical compound with molecular formula C10H6O4 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxochromene-6-carboxylic acid
Also Known As: 2-Oxo-2H-chromene-6-carboxylic acid, 6-Carboxycoumarin, Coumarin-6-carboxylic acid, 2-oxochromene-6-carboxylic acid, Coumarin-6-carboxylicacid
| Molecular Formula | C10H6O4 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 1.4912 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02661 |
| Heavy Atoms | 14 |
| Complexity | 553.2957 |
Chemical Identifiers
| CAS Number | 7734-80-7 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=O)O2)C=C1C(=O)O |
Product Overview
6-Carboxycoumarin (CAS 7734-80-7), with molecular formula C10H6O4 and molecular weight 190.03 g/mol. IUPAC: 2-oxochromene-6-carboxylic acid.
Chemical Property Profile of 6-Carboxycoumarin
Property Insights of 6-Carboxycoumarin
The XLogP value of 1.4912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Carboxycoumarin. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Carboxycoumarin. Following Lipinski's Rule of Five, 6-Carboxycoumarin 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 6-Carboxycoumarin?
The CAS number of 6-Carboxycoumarin is 7734-80-7.
What is the molecular formula of 6-Carboxycoumarin?
The molecular formula of 6-Carboxycoumarin is C10H6O4.
What is the molecular weight of 6-Carboxycoumarin?
The molecular weight of 6-Carboxycoumarin is 190.03 g/mol.
Where can I buy 6-Carboxycoumarin?
You can request a quote for 6-Carboxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Carboxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Carboxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.