7-Diethylaminocoumarin-3-carboxylic acid
TL;DR: 7-Diethylaminocoumarin-3-carboxylic acid (CAS 100343-99-5) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(diethylamino)-2-oxochromene-3-carboxylic acid
Also Known As: 7ACC1, 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylic acid, 7-(Diethylamino)coumarin-3-carboxylic acid, 7-Deacca, Deac
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 100343-99-5 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)O |
| InChIKey | WHCPTFFIERCDSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Diethylaminocoumarin-3-carboxylic acid (CAS 100343-99-5), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: 7-(diethylamino)-2-oxochromene-3-carboxylic acid.
Chemical Property Profile of 7-Diethylaminocoumarin-3-carboxylic acid
Property Insights of 7-Diethylaminocoumarin-3-carboxylic acid
The XLogP value of 3.1 indicates that 7-Diethylaminocoumarin-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Diethylaminocoumarin-3-carboxylic acid. Following Lipinski's Rule of Five, 7-Diethylaminocoumarin-3-carboxylic acid has 1 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 7-Diethylaminocoumarin-3-carboxylic acid?
The CAS number of 7-Diethylaminocoumarin-3-carboxylic acid is 100343-99-5.
What is the molecular formula of 7-Diethylaminocoumarin-3-carboxylic acid?
The molecular formula of 7-Diethylaminocoumarin-3-carboxylic acid is C14H15NO4.
What is the molecular weight of 7-Diethylaminocoumarin-3-carboxylic acid?
The molecular weight of 7-Diethylaminocoumarin-3-carboxylic acid is 261.10 g/mol.
Where can I buy 7-Diethylaminocoumarin-3-carboxylic acid?
You can request a quote for 7-Diethylaminocoumarin-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Diethylaminocoumarin-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Diethylaminocoumarin-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.