2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate
TL;DR: 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate (CAS 372977-92-9) is a chemical compound with molecular formula C19H16O4S and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-1-benzothiophen-3-yl) 2-(2-methylphenoxy)acetate
Also Known As: 2-acetylbenzo[b]thiophen-3-yl 2-(o-tolyloxy)acetate, 2-acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate, (2-acetyl-1-benzothiophen-3-yl) 2-(2-methylphenoxy)acetate
| Molecular Formula | C19H16O4S |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 4.39672 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.07693 |
| Heavy Atoms | 24 |
| Complexity | 910.62573 |
Chemical Identifiers
| CAS Number | 372977-92-9 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(=O)OC2=C(SC3=CC=CC=C32)C(=O)C |
Product Overview
2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate (CAS 372977-92-9), with molecular formula C19H16O4S and molecular weight 340.08 g/mol. IUPAC: (2-acetyl-1-benzothiophen-3-yl) 2-(2-methylphenoxy)acetate.
Chemical Property Profile of 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate
Property Insights of 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate
The XLogP value of 4.39672 indicates that 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate 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-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate?
The CAS number of 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate is 372977-92-9.
What is the molecular formula of 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate?
The molecular formula of 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate is C19H16O4S.
What is the molecular weight of 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate?
The molecular weight of 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate is 340.08 g/mol.
Where can I buy 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate?
You can request a quote for 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate 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 (2-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-1-benzothiophen-3-yl (2-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.