4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester
TL;DR: 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester (CAS 18398-73-7) is a chemical compound with molecular formula C11H8O4 and molecular weight 204.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-oxochromene-2-carboxylate
Also Known As: methyl 4-oxo-4H-chromene-2-carboxylate, methyl 4-oxochromene-2-carboxylate, Methyl chromone-2-carboxylate, 2-methoxycarbonylchromone, Chromone-2-carboxylic acid methyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8O4 |
| Molecular Weight | 204.04225 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.04225 Da |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
| SMILES | COC(=O)C1=CC(=O)C2=CC=CC=C2O1 |
| InChIKey | WNVKMIHNAHIVDP-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester
Property Insights of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester is 18398-73-7.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester is C11H8O4.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester is 204.04225 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.