3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate
TL;DR: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate (CAS 618389-31-4) is a chemical compound with molecular formula C28H23NO7S and molecular weight 517.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl] 3,4,5-trimethoxybenzoate
Also Known As: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate, AF-399/41884007, [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl] 3,4,5-trimethoxybenzoate, 3-(benzo[d]thiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate, 3-benzothiazol-2-yl-6-ethyl-4-oxochromen-7-yl 3,4,5-trimethoxybenzoate
| Molecular Formula | C28H23NO7S |
|---|---|
| Molecular Weight | 517.12 g/mol |
| LogP | 5.8771 |
| Topological Polar Surface Area | 97.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.1195 |
| Heavy Atoms | 37 |
| Complexity | 1644.7449 |
Chemical Identifiers
| CAS Number | 618389-31-4 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC=C(C2=O)C4=NC5=CC=CC=C5S4 |
Product Overview
3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate (CAS 618389-31-4), with molecular formula C28H23NO7S and molecular weight 517.12 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate
Property Insights of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate
The XLogP value of 5.8771 indicates that 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 9 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-4H-chromen-7-yl 3,4,5-trimethoxybenzoate?
The CAS number of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate is 618389-31-4.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate is C28H23NO7S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate is 517.12 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate 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-4H-chromen-7-yl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.