3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate
TL;DR: 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate (CAS 618391-63-2) is a chemical compound with molecular formula C23H12FNO4S and molecular weight 417.05 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] 2-fluorobenzoate
Also Known As: 3-benzothiazol-2-yl-2-oxochromen-7-yl 2-fluorobenzoate, (3-benzothiazol-2-yl-2-oxo-chromen-7-yl) 2-fluorobenzoate, 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate, 3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate, [3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] 2-fluorobenzoate
| Molecular Formula | C23H12FNO4S |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 5.428 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.04712 |
| Heavy Atoms | 30 |
| Complexity | 1454.9003 |
Chemical Identifiers
| CAS Number | 618391-63-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4)F |
Product Overview
3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate (CAS 618391-63-2), with molecular formula C23H12FNO4S and molecular weight 417.05 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] 2-fluorobenzoate.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate
Property Insights of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate
The XLogP value of 5.428 indicates that 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate 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 2-fluorobenzoate. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate 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 2-fluorobenzoate?
The CAS number of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate is 618391-63-2.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate is C23H12FNO4S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate is 417.05 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate 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 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.