3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate
TL;DR: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate (CAS 5279-87-8) is a chemical compound with molecular formula C21H17NO4S and molecular weight 379.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] acetate
Also Known As: BAS 01057701, 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate, F0308-0796, [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] acetate, 3-(benzo[d]thiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate
| Molecular Formula | C21H17NO4S |
|---|---|
| Molecular Weight | 379.09 g/mol |
| LogP | 4.86582 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.08783 |
| Heavy Atoms | 27 |
| Complexity | 1219.4902 |
Chemical Identifiers
| CAS Number | 5279-87-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(=O)C)OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C |
Product Overview
3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate (CAS 5279-87-8), with molecular formula C21H17NO4S and molecular weight 379.09 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate
Property Insights of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate
The XLogP value of 4.86582 indicates that 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate has 0 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-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate?
The CAS number of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate is 5279-87-8.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate is C21H17NO4S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate is 379.09 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.