3-(Tosylmethyl)-1H-indole
TL;DR: 3-(Tosylmethyl)-1H-indole (CAS 964-41-0) is a chemical compound with molecular formula C16H15NO2S and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)sulfonylmethyl]-1H-indole
Also Known As: 3-(Tosylmethyl)-1H-indole, 3-(Toluene-4-sulfonylmethyl)-1H-indole, 3-[[(4-Methylphenyl)sulfonyl]methyl]-1H-indole, 3-{[(4-methylphenyl)sulfonyl]methyl}-1H-indole, BAS 10852453
| Molecular Formula | C16H15NO2S |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 3.45022 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.08234 |
| Heavy Atoms | 20 |
| Complexity | 845.5741 |
Chemical Identifiers
| CAS Number | 964-41-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=CNC3=CC=CC=C32 |
Product Overview
3-(Tosylmethyl)-1H-indole (CAS 964-41-0), with molecular formula C16H15NO2S and molecular weight 285.08 g/mol. IUPAC: 3-[(4-methylphenyl)sulfonylmethyl]-1H-indole.
Chemical Property Profile of 3-(Tosylmethyl)-1H-indole
Property Insights of 3-(Tosylmethyl)-1H-indole
The XLogP value of 3.45022 indicates that 3-(Tosylmethyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.93 Ų, 3-(Tosylmethyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Tosylmethyl)-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-(Tosylmethyl)-1H-indole?
The CAS number of 3-(Tosylmethyl)-1H-indole is 964-41-0.
What is the molecular formula of 3-(Tosylmethyl)-1H-indole?
The molecular formula of 3-(Tosylmethyl)-1H-indole is C16H15NO2S.
What is the molecular weight of 3-(Tosylmethyl)-1H-indole?
The molecular weight of 3-(Tosylmethyl)-1H-indole is 285.08 g/mol.
Where can I buy 3-(Tosylmethyl)-1H-indole?
You can request a quote for 3-(Tosylmethyl)-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-(Tosylmethyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tosylmethyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.