3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid
TL;DR: 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid (CAS 136997-14-3) is a chemical compound with molecular formula C21H18N2O4S and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxochromene-4-carboxylic acid
Also Known As: 3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)COUMARIN-4-CARBOXYLIC ACID, 3- -7- COUMARIN-4-CARBOXYLICACID, 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxochromene-4-carboxylic acid, 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-4-carboxylic acid, 3-(Benzo[d]thiazol-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-4-carboxylic acid
| Molecular Formula | C21H18N2O4S |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 4.6141 |
| Topological Polar Surface Area | 83.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.09872 |
| Heavy Atoms | 28 |
| Complexity | 1221.469 |
Chemical Identifiers
| CAS Number | 136997-14-3 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4S3)C(=O)O |
Product Overview
3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid (CAS 136997-14-3), with molecular formula C21H18N2O4S and molecular weight 394.10 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxochromene-4-carboxylic acid.
Chemical Property Profile of 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid
Property Insights of 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid
The XLogP value of 4.6141 indicates that 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid has 1 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 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid?
The CAS number of 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid is 136997-14-3.
What is the molecular formula of 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid?
The molecular formula of 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid is C21H18N2O4S.
What is the molecular weight of 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid?
The molecular weight of 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid is 394.10 g/mol.
Where can I buy 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid?
You can request a quote for 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.