3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate
TL;DR: 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate (CAS 488801-18-9) is a chemical compound with molecular formula C26H22F3NO4S and molecular weight 501.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-cyclopentylpropanoate
Also Known As: 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate, [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-cyclopentylpropanoate, [3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-cyclopentylpropanoate, 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 3-cyclopentylpropanoate, 3-(benzo[d]thiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 3-cyclopentylpropanoate
| Molecular Formula | C26H22F3NO4S |
|---|---|
| Molecular Weight | 501.12 g/mol |
| LogP | 7.27272 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.12216 |
| Heavy Atoms | 35 |
| Complexity | 1449.0001 |
Chemical Identifiers
| CAS Number | 488801-18-9 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)OC(=O)CCC5CCCC5 |
Product Overview
3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate (CAS 488801-18-9), with molecular formula C26H22F3NO4S and molecular weight 501.12 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-cyclopentylpropanoate.
Chemical Property Profile of 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate
Property Insights of 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate
The XLogP value of 7.27272 indicates that 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate 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-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate. Following Lipinski's Rule of Five, 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate?
The CAS number of 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate is 488801-18-9.
What is the molecular formula of 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate?
The molecular formula of 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate is C26H22F3NO4S.
What is the molecular weight of 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate?
The molecular weight of 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate is 501.12 g/mol.
Where can I buy 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate?
You can request a quote for 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzothiazol-2-yl-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl 3-cyclopent ylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.