3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate
TL;DR: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate (CAS 308297-59-8) is a chemical compound with molecular formula C27H18F3NO4S and molecular weight 509.09 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-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate
Also Known As: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate, AE-641/15338361, [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate
| Molecular Formula | C27H18F3NO4S |
|---|---|
| Molecular Weight | 509.09 g/mol |
| LogP | 7.17852 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.09085 |
| Heavy Atoms | 36 |
| Complexity | 1651.4781 |
Chemical Identifiers
| CAS Number | 308297-59-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(=O)C3=CC=C(C=C3)C)OC(=C(C2=O)C4=NC5=CC=CC=C5S4)C(F)(F)F |
Product Overview
3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate (CAS 308297-59-8), with molecular formula C27H18F3NO4S and molecular weight 509.09 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate
Property Insights of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate
The XLogP value of 7.17852 indicates that 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate 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-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate 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-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate?
The CAS number of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate is 308297-59-8.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate is C27H18F3NO4S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate is 509.09 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate 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-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.