2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester
TL;DR: 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester (CAS 6468-66-2) 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.
dimethyl 2-oxochromene-3,6-dicarboxylate
Also Known As: 3,6-Dicarbomethoxycoumarin, dimethyl 2-oxochromene-3,6-dicarboxylate, 2H-1-BENZOPYRAN-3,6-DICARBOXYLIC ACID, 2-OXO-, DIMETHYL ESTER, 5-18-08-00673 (Beilstein Handbook Reference), 2-Oxo-2H-1-benzopyran-3,6-dicarboxylic acid dimethyl ester
| Molecular Formula | C13H10O6 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.04773 |
| Heavy Atoms | 19 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 6468-66-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC |
| InChIKey | MMXNNRGWPHCUFE-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester (CAS 6468-66-2), with molecular formula C13H10O6 and molecular weight 262.05 g/mol. IUPAC: dimethyl 2-oxochromene-3,6-dicarboxylate.
Chemical Property Profile of 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester
Property Insights of 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester 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 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester?
The CAS number of 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester is 6468-66-2.
What is the molecular formula of 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester?
The molecular formula of 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester is C13H10O6.
What is the molecular weight of 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester?
The molecular weight of 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester is 262.05 g/mol.
Where can I buy 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester?
You can request a quote for 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.