![1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone structure](/static/products/1041/104142-24-7.webp)
1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone
TL;DR: 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone (CAS 104142-24-7) is a chemical compound with molecular formula C17H15NO3S and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethanone
Also Known As: 3-acetyl-1-tosylindole, 1-Tosyl-3-acetyl-1H-indole, 1-(1-tosyl-1H-indol-3-yl)ethanone, 1-(1-tosyl-3-indolyl)-1-ethanone, 1-(1-Tosyl-1H-indole-3-yl)ethanone
| Molecular Formula | C17H15NO3S |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.07727 |
| Heavy Atoms | 22 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 104142-24-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(=O)C |
| InChIKey | DNDMNPLPNYMHGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone (CAS 104142-24-7), with molecular formula C17H15NO3S and molecular weight 313.08 g/mol. IUPAC: 1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethanone.
Chemical Property Profile of 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone
Property Insights of 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone
The XLogP value of 3.5 indicates that 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone. Following Lipinski's Rule of Five, 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}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-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone?
The CAS number of 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone is 104142-24-7.
What is the molecular formula of 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone?
The molecular formula of 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone is C17H15NO3S.
What is the molecular weight of 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone?
The molecular weight of 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone is 313.08 g/mol.
Where can I buy 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone?
You can request a quote for 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{1-[(4-Methylphenyl)sulfonyl]-1H-indol-3-yl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.