4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester
TL;DR: 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester (CAS 51081-67-5) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 4-oxochromene-2-carboxylate
Also Known As: Chromone-2-carboxylic acid butyl ester, butyl 4-oxochromene-2-carboxylate, 4-Oxo-4H-1-benzopyran-2-carboxylic acid butyl ester, 4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 4-OXO-, BUTYL ESTER, 5-18-08-00313 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C14H14O4 |
| Molecular Weight | 246.0892 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.0892 Da |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
| SMILES | CCCCOC(=O)C1=CC(=O)C2=CC=CC=C2O1 |
| InChIKey | PFLSXYQHAIZJPA-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester
Property Insights of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester
The XLogP value of 3.2 indicates that 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl 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-, butyl 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-, butyl ester?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester is 51081-67-5.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester is C14H14O4.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester is 246.0892 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl 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-, butyl ester?
Yes, CoreyChem provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.