4-Bromo-1-(toluene-4-sulfonyl)-1H-indole
TL;DR: 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole (CAS 90481-72-4) is a chemical compound with molecular formula C15H12BrNO2S and molecular weight 348.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-(4-methylphenyl)sulfonylindole
Also Known As: 4-bromo-1-tosylindole, 4-bromo-1-tosyl-1H-indole, 1-Tosyl-4-bromo-1H-indole, 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole, 4-bromo-1-(4-methylphenyl)sulfonylindole
| Molecular Formula | C15H12BrNO2S |
|---|---|
| Molecular Weight | 348.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 47.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.9772 |
| Heavy Atoms | 20 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 90481-72-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=C3Br |
| InChIKey | LLWDHSQCZPPQDY-UHFFFAOYSA-N |
Product Overview
4-Bromo-1-(toluene-4-sulfonyl)-1H-indole (CAS 90481-72-4), with molecular formula C15H12BrNO2S and molecular weight 348.98 g/mol. IUPAC: 4-bromo-1-(4-methylphenyl)sulfonylindole.
Chemical Property Profile of 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole
Property Insights of 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole
The XLogP value of 4.3 indicates that 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.5 Ų, 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole has 0 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 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole?
The CAS number of 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole is 90481-72-4.
What is the molecular formula of 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole?
The molecular formula of 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole is C15H12BrNO2S.
What is the molecular weight of 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole?
The molecular weight of 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole is 348.98 g/mol.
Where can I buy 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole?
You can request a quote for 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-(toluene-4-sulfonyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.