3-Carbethoxy-6-carboxycoumarin
TL;DR: 3-Carbethoxy-6-carboxycoumarin (CAS 6468-72-0) is a chemical compound with molecular formula C13H10O6 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxycarbonyl-2-oxochromene-6-carboxylic acid
Also Known As: 3-Carbethoxy-6-carboxycoumarin, 3-Carboethoxy-6-carboxy-cumarin, 3-ethoxycarbonyl-2-oxochromene-6-carboxylic acid, 2-Oxo-2H-1-benzopyran-3,6-dicarboxylic acid 3-ethyl ester, 5-18-08-00673 (Beilstein Handbook Reference)
| Molecular Formula | C13H10O6 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.04773 |
| Heavy Atoms | 19 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 6468-72-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=CC(=C2)C(=O)O)OC1=O |
| InChIKey | IQXJOXZOUPRTSS-UHFFFAOYSA-N |
Product Overview
3-Carbethoxy-6-carboxycoumarin (CAS 6468-72-0), with molecular formula C13H10O6 and molecular weight 262.05 g/mol. IUPAC: 3-ethoxycarbonyl-2-oxochromene-6-carboxylic acid.
Chemical Property Profile of 3-Carbethoxy-6-carboxycoumarin
Property Insights of 3-Carbethoxy-6-carboxycoumarin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carbethoxy-6-carboxycoumarin. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbethoxy-6-carboxycoumarin. Following Lipinski's Rule of Five, 3-Carbethoxy-6-carboxycoumarin has 1 hydrogen bond donor(s) and 6 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 3-Carbethoxy-6-carboxycoumarin?
The CAS number of 3-Carbethoxy-6-carboxycoumarin is 6468-72-0.
What is the molecular formula of 3-Carbethoxy-6-carboxycoumarin?
The molecular formula of 3-Carbethoxy-6-carboxycoumarin is C13H10O6.
What is the molecular weight of 3-Carbethoxy-6-carboxycoumarin?
The molecular weight of 3-Carbethoxy-6-carboxycoumarin is 262.05 g/mol.
Where can I buy 3-Carbethoxy-6-carboxycoumarin?
You can request a quote for 3-Carbethoxy-6-carboxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbethoxy-6-carboxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbethoxy-6-carboxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.