3-methyl-2-(phenylsulfonyl)-1H-indole
TL;DR: 3-methyl-2-(phenylsulfonyl)-1H-indole (CAS 108665-95-8) is a chemical compound with molecular formula C15H13NO2S and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-methyl-1H-indole
Also Known As: 3-methyl-2-(phenylsulfonyl)-1H-indole, 2-(benzenesulfonyl)-3-methyl-1H-indole, 1H-indole, 3-methyl-2-(phenylsulfonyl)-, 3-methyl-2-(phenylsulfonyl)indole, 2-(Phenylsulfonyl)-3-methyl-1H-indole
| Molecular Formula | C15H13NO2S |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.0667 |
| Heavy Atoms | 19 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 108665-95-8 |
|---|---|
| SMILES | CC1=C(NC2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3 |
| InChIKey | JVPWRYGAIHPYCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-2-(phenylsulfonyl)-1H-indole (CAS 108665-95-8), with molecular formula C15H13NO2S and molecular weight 271.07 g/mol. IUPAC: 2-(benzenesulfonyl)-3-methyl-1H-indole.
Chemical Property Profile of 3-methyl-2-(phenylsulfonyl)-1H-indole
Property Insights of 3-methyl-2-(phenylsulfonyl)-1H-indole
The XLogP value of 3.5 indicates that 3-methyl-2-(phenylsulfonyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, 3-methyl-2-(phenylsulfonyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-2-(phenylsulfonyl)-1H-indole 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 3-methyl-2-(phenylsulfonyl)-1H-indole?
The CAS number of 3-methyl-2-(phenylsulfonyl)-1H-indole is 108665-95-8.
What is the molecular formula of 3-methyl-2-(phenylsulfonyl)-1H-indole?
The molecular formula of 3-methyl-2-(phenylsulfonyl)-1H-indole is C15H13NO2S.
What is the molecular weight of 3-methyl-2-(phenylsulfonyl)-1H-indole?
The molecular weight of 3-methyl-2-(phenylsulfonyl)-1H-indole is 271.07 g/mol.
Where can I buy 3-methyl-2-(phenylsulfonyl)-1H-indole?
You can request a quote for 3-methyl-2-(phenylsulfonyl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-2-(phenylsulfonyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2-(phenylsulfonyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.