3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate
TL;DR: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate (CAS 300674-70-8) is a chemical compound with molecular formula C24H23NO4S and molecular weight 421.13 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] 2,2-dimethylpropanoate
Also Known As: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate, [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 2,2-dimethylpropanoate, AF-399/13927474, 3-(benzo[d]thiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate, 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate
| Molecular Formula | C24H23NO4S |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | 5.89202 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.13477 |
| Heavy Atoms | 30 |
| Complexity | 1308.32 |
Chemical Identifiers
| CAS Number | 300674-70-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(=O)C(C)(C)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 pivalate (CAS 300674-70-8), with molecular formula C24H23NO4S and molecular weight 421.13 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate
Property Insights of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate
The XLogP value of 5.89202 indicates that 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate 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 pivalate. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate 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-2-methyl-4-oxo-4H-chromen-7-yl pivalate?
The CAS number of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate is 300674-70-8.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate is C24H23NO4S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate is 421.13 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate 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 pivalate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.