3-Carbethoxy-6-carbomethoxycoumarin
TL;DR: 3-Carbethoxy-6-carbomethoxycoumarin (CAS 6469-00-7) is a chemical compound with molecular formula C14H12O6 and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 6-O-methyl 2-oxochromene-3,6-dicarboxylate
Also Known As: 3-Carbethoxy-6-carbomethoxycoumarin, 5-18-08-00673 (Beilstein Handbook Reference), 2-Oxo-2H-1-benzopyran-3,6-dicarboxylic acid 3-ethyl 6-methyl ester, 3-O-ethyl 6-O-methyl 2-oxochromene-3,6-dicarboxylate, 2H-1-BENZOPYRAN-3,6-DICARBOXYLIC ACID, 2-OXO-, 3-ETHYL 6-METHYL ESTER
| Molecular Formula | C14H12O6 |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.0634 |
| Heavy Atoms | 20 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 6469-00-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=CC(=C2)C(=O)OC)OC1=O |
| InChIKey | MKPQNROCYRZWNM-UHFFFAOYSA-N |
Product Overview
3-Carbethoxy-6-carbomethoxycoumarin (CAS 6469-00-7), with molecular formula C14H12O6 and molecular weight 276.06 g/mol. IUPAC: 3-O-ethyl 6-O-methyl 2-oxochromene-3,6-dicarboxylate.
Chemical Property Profile of 3-Carbethoxy-6-carbomethoxycoumarin
Property Insights of 3-Carbethoxy-6-carbomethoxycoumarin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carbethoxy-6-carbomethoxycoumarin. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbethoxy-6-carbomethoxycoumarin. Following Lipinski's Rule of Five, 3-Carbethoxy-6-carbomethoxycoumarin has 0 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-carbomethoxycoumarin?
The CAS number of 3-Carbethoxy-6-carbomethoxycoumarin is 6469-00-7.
What is the molecular formula of 3-Carbethoxy-6-carbomethoxycoumarin?
The molecular formula of 3-Carbethoxy-6-carbomethoxycoumarin is C14H12O6.
What is the molecular weight of 3-Carbethoxy-6-carbomethoxycoumarin?
The molecular weight of 3-Carbethoxy-6-carbomethoxycoumarin is 276.06 g/mol.
Where can I buy 3-Carbethoxy-6-carbomethoxycoumarin?
You can request a quote for 3-Carbethoxy-6-carbomethoxycoumarin 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-carbomethoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbethoxy-6-carbomethoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.