3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate
TL;DR: 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate (CAS 315237-39-9) is a chemical compound with molecular formula C23H13NO4S and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] benzoate
Also Known As: ChemDiv1_009521, 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate, 3-benzothiazol-2-yl-2-oxochromen-7-yl benzoate, [3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] benzoate, 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate
| Molecular Formula | C23H13NO4S |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 5.2889 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.05652 |
| Heavy Atoms | 29 |
| Complexity | 1386.5896 |
Chemical Identifiers
| CAS Number | 315237-39-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4 |
Product Overview
3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate (CAS 315237-39-9), with molecular formula C23H13NO4S and molecular weight 399.06 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] benzoate.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate
Property Insights of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate
The XLogP value of 5.2889 indicates that 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate 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)-2-oxo-2H-chromen-7-yl benzoate. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate 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)-2-oxo-2H-chromen-7-yl benzoate?
The CAS number of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate is 315237-39-9.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate is C23H13NO4S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate is 399.06 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate 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)-2-oxo-2H-chromen-7-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.