1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone
TL;DR: 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone (CAS 40912-85-4) is a chemical compound with molecular formula C17H15ClO2S and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone
Also Known As: 1-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone, 1-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphe, 1-chloro-4-({4-[(4-methylphenyl)sulfanyl]but-2-yn-1-yl}oxy)benzene, 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethan-1-one, RefChem:225710
| Molecular Formula | C17H15ClO2S |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.04813 |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 40912-85-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)C2CSC3=C2C=C(C=C3)Cl |
| InChIKey | MUKFZQHDZCVKFG-UHFFFAOYSA-N |
Product Overview
1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone (CAS 40912-85-4), with molecular formula C17H15ClO2S and molecular weight 318.05 g/mol. IUPAC: 1-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone.
Chemical Property Profile of 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone
Property Insights of 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone
The XLogP value of 4.6 indicates that 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone has 0 hydrogen bond donor(s) and 3 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 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone?
The CAS number of 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone is 40912-85-4.
What is the molecular formula of 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone?
The molecular formula of 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone is C17H15ClO2S.
What is the molecular weight of 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone?
The molecular weight of 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone is 318.05 g/mol.
Where can I buy 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone?
You can request a quote for 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-methylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.