![2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate structure](/static/products/373/373618-67-8.png)
2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate
TL;DR: 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate (CAS 373618-67-8) is a chemical compound with molecular formula C17H11FO3S and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-1-benzothiophen-3-yl) 4-fluorobenzoate
Also Known As: 2-acetyl-1-benzothiophen-3-yl 4-fluorobenzoate, 2-acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate, 2-acetyl-1-benzothien-3-yl 4-fluorobenzoate, (2-acetyl-1-benzothiophen-3-yl) 4-fluorobenzoate, AE-848/12505027
| Molecular Formula | C17H11FO3S |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0413 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 373618-67-8 |
|---|---|
| SMILES | CC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=C(C=C3)F |
| InChIKey | NWJICWDUTQURFJ-UHFFFAOYSA-N |
Product Overview
2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate (CAS 373618-67-8), with molecular formula C17H11FO3S and molecular weight 314.04 g/mol. IUPAC: (2-acetyl-1-benzothiophen-3-yl) 4-fluorobenzoate.
Chemical Property Profile of 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate
Property Insights of 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate
The XLogP value of 4.5 indicates that 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate. Following Lipinski's Rule of Five, 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 5 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 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate?
The CAS number of 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate is 373618-67-8.
What is the molecular formula of 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate?
The molecular formula of 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate is C17H11FO3S.
What is the molecular weight of 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate?
The molecular weight of 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate is 314.04 g/mol.
Where can I buy 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate?
You can request a quote for 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylbenzo[b]thiophen-3-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.