2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
TL;DR: 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester (CAS 28705-46-6) is a chemical compound with molecular formula C16H19NO4 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
Also Known As: ethyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate, Ethyl 7-(Diethylamino)coumarin-3-carboxylate, 2-Bromo-4-fluorobenzylbromide, ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate, Ethyl 7-diethylaminocoumarin-3-carboxylate
| Molecular Formula | C16H19NO4 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.1314 |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 28705-46-6 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC |
| InChIKey | MSOLGAJLRIINNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester (CAS 28705-46-6), with molecular formula C16H19NO4 and molecular weight 289.13 g/mol. IUPAC: ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate.
Chemical Property Profile of 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
Property Insights of 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
The XLogP value of 3.2 indicates that 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 5 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-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester?
The CAS number of 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester is 28705-46-6.
What is the molecular formula of 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester?
The molecular formula of 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester is C16H19NO4.
What is the molecular weight of 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester?
The molecular weight of 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester is 289.13 g/mol.
Where can I buy 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester?
You can request a quote for 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl 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-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.