![ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate structure](/static/products/6107/610758-80-0.webp)
ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate
TL;DR: ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate (CAS 610758-80-0) is a chemical compound with molecular formula C25H25NO5S and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxybutanoate
Also Known As: ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate, F3228-0071, ethyl 2-((3-(benzo[d]thiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl)oxy)butanoate, ethyl 2-(3-benzothiazol-2-yl-6-ethyl-2-methyl-4-oxochromen-7-yloxy)butanoate, ethyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxybutanoate
| Molecular Formula | C25H25NO5S |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 5.66102 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.14536 |
| Heavy Atoms | 32 |
| Complexity | 1320.956 |
Chemical Identifiers
| CAS Number | 610758-80-0 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(CC)C(=O)OCC)OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C |
Product Overview
ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate (CAS 610758-80-0), with molecular formula C25H25NO5S and molecular weight 451.15 g/mol. IUPAC: ethyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxybutanoate.
Chemical Property Profile of ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate
Property Insights of ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate
The XLogP value of 5.66102 indicates that ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate. Following Lipinski's Rule of Five, ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate?
The CAS number of ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate is 610758-80-0.
What is the molecular formula of ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate?
The molecular formula of ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate is C25H25NO5S.
What is the molecular weight of ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate?
The molecular weight of ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate is 451.15 g/mol.
Where can I buy ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate?
You can request a quote for ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl]oxy}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.