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1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone
TL;DR: 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone (CAS 577961-46-7) is a chemical compound with molecular formula C18H17NOS and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1H-indol-3-yl)-2-(4-methylphenyl)sulfanylethanone
Also Known As: 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone, 1-(2-methyl-1H-indol-3-yl)-2-(p-tolylthio)ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)sulfanyl]ethanone, 1-(2-methylindol-3-yl)-2-(4-methylphenylthio)ethan-1-one, 1-(2-methyl-1H-indol-3-yl)-2-(4-methylphenyl)sulfanylethanone
| Molecular Formula | C18H17NOS |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 4.75974 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1031 |
| Heavy Atoms | 21 |
| Complexity | 786.5885 |
Chemical Identifiers
| CAS Number | 577961-46-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(=O)C2=C(NC3=CC=CC=C32)C |
Product Overview
1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone (CAS 577961-46-7), with molecular formula C18H17NOS and molecular weight 295.10 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-(4-methylphenyl)sulfanylethanone.
Chemical Property Profile of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone
Property Insights of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone
The XLogP value of 4.75974 indicates that 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone has 1 hydrogen bond donor(s) and 2 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-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone?
The CAS number of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone is 577961-46-7.
What is the molecular formula of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone?
The molecular formula of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone is C18H17NOS.
What is the molecular weight of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone?
The molecular weight of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone is 295.10 g/mol.
Where can I buy 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone?
You can request a quote for 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.