Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
TL;DR: Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate (CAS 610758-74-2) is a chemical compound with molecular formula C21H17NO5S and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
Also Known As: AB01282871-01, ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate, ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
| Molecular Formula | C21H17NO5S |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 4.5144 |
| Topological Polar Surface Area | 89.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.08273 |
| Heavy Atoms | 28 |
| Complexity | 1238.2522 |
Chemical Identifiers
| CAS Number | 610758-74-2 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1O)OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(=O)OCC |
Product Overview
Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate (CAS 610758-74-2), with molecular formula C21H17NO5S and molecular weight 395.08 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
Property Insights of Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
The XLogP value of 4.5144 indicates that Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate has 1 hydrogen bond donor(s) and 7 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 Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate?
The CAS number of Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate is 610758-74-2.
What is the molecular formula of Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate?
The molecular formula of Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate is C21H17NO5S.
What is the molecular weight of Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate?
The molecular weight of Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate is 395.08 g/mol.
Where can I buy Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate?
You can request a quote for Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.