(2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate
TL;DR: (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate (CAS 325822-41-1) is a chemical compound with molecular formula C17H11ClO3S and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate
Also Known As: (2-acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate, 2-acetyl-1-benzothiophen-3-yl 3-chlorobenzoate, 2-acetylbenzo[b]thiophen-3-yl 3-chlorobenzoate, 2-acetyl-1-benzothien-3-yl 3-chlorobenzoate, AE-848/37018041
| Molecular Formula | C17H11ClO3S |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 4.9765 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.01175 |
| Heavy Atoms | 22 |
| Complexity | 882.49634 |
Chemical Identifiers
| CAS Number | 325822-41-1 |
|---|---|
| SMILES | CC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC(=CC=C3)Cl |
Product Overview
(2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate (CAS 325822-41-1), with molecular formula C17H11ClO3S and molecular weight 330.01 g/mol. IUPAC: (2-acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate.
Chemical Property Profile of (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate
Property Insights of (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate
The XLogP value of 4.9765 indicates that (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate has 0 hydrogen bond donor(s) and 4 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-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate?
The CAS number of (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate is 325822-41-1.
What is the molecular formula of (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate?
The molecular formula of (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate is C17H11ClO3S.
What is the molecular weight of (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate?
The molecular weight of (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate is 330.01 g/mol.
Where can I buy (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate?
You can request a quote for (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Acetyl-1-benzothiophen-3-yl) 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.