3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate
TL;DR: 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate (CAS 618389-27-8) is a chemical compound with molecular formula C20H15NO4S and molecular weight 365.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-yl] 2-methylpropanoate
Also Known As: 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate, 3-(benzo[d]thiazol-2-yl)-4-oxo-4H-chromen-7-yl isobutyrate, F3139-0792, [3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-yl] 2-methylpropanoate, 3-benzothiazol-2-yl-4-oxochromen-7-yl 2-methylpropanoate
| Molecular Formula | C20H15NO4S |
|---|---|
| Molecular Weight | 365.07 g/mol |
| LogP | 4.6311 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.07217 |
| Heavy Atoms | 26 |
| Complexity | 1156.3342 |
Chemical Identifiers
| CAS Number | 618389-27-8 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3 |
Product Overview
3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate (CAS 618389-27-8), with molecular formula C20H15NO4S and molecular weight 365.07 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-yl] 2-methylpropanoate.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate
Property Insights of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate
The XLogP value of 4.6311 indicates that 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate 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)-4-oxo-4H-chromen-7-yl 2-methylpropanoate. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate?
The CAS number of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate is 618389-27-8.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate is C20H15NO4S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate is 365.07 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate 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)-4-oxo-4H-chromen-7-yl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.