![2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate structure](/static/products/325/325822-40-0.png)
2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate
TL;DR: 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate (CAS 325822-40-0) is a chemical compound with molecular formula C18H14O3S and molecular weight 310.07 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-methylbenzoate
Also Known As: 2-acetyl-1-benzothiophen-3-yl 4-methylbenzoate, 2-acetylbenzo[b]thiophen-3-yl 4-methylbenzoate, 2-acetyl-1-benzothien-3-yl 4-methylbenzoate, (2-acetyl-1-benzothiophen-3-yl) 4-methylbenzoate, AE-848/11419096
| Molecular Formula | C18H14O3S |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 4.63152 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.06638 |
| Heavy Atoms | 22 |
| Complexity | 859.67456 |
Chemical Identifiers
| CAS Number | 325822-40-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(SC3=CC=CC=C32)C(=O)C |
Product Overview
2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate (CAS 325822-40-0), with molecular formula C18H14O3S and molecular weight 310.07 g/mol. IUPAC: (2-acetyl-1-benzothiophen-3-yl) 4-methylbenzoate.
Chemical Property Profile of 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate
Property Insights of 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate
The XLogP value of 4.63152 indicates that 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate 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-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate 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-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate?
The CAS number of 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate is 325822-40-0.
What is the molecular formula of 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate?
The molecular formula of 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate is C18H14O3S.
What is the molecular weight of 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate?
The molecular weight of 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate is 310.07 g/mol.
Where can I buy 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate?
You can request a quote for 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate 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-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylbenzo[b]thiophen-3-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.