3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole
TL;DR: 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole (CAS 27933-36-4) is a chemical compound with molecular formula C15H11BrN2O2S and molecular weight 361.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-3-methyl-2-(2-nitrophenyl)sulfanylindole
Also Known As: Bnps-skatole, BNPS skatole, BNPS-skatol, 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole, 3-Bromo-3-methyl-2-(2-nitrophenylthio)-3H-indole
| Molecular Formula | C15H11BrN2O2S |
|---|---|
| Molecular Weight | 361.97 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.97247 |
| Heavy Atoms | 21 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 27933-36-4 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N=C1SC3=CC=CC=C3[N+](=O)[O-])Br |
| InChIKey | BXTVQNYQYUTQAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole (CAS 27933-36-4), with molecular formula C15H11BrN2O2S and molecular weight 361.97 g/mol. IUPAC: 3-bromo-3-methyl-2-(2-nitrophenyl)sulfanylindole.
Chemical Property Profile of 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole
Property Insights of 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole
The XLogP value of 4.4 indicates that 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole. Following Lipinski's Rule of Five, 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole has 0 hydrogen bond donor(s) and 4 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-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole?
The CAS number of 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole is 27933-36-4.
What is the molecular formula of 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole?
The molecular formula of 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole is C15H11BrN2O2S.
What is the molecular weight of 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole?
The molecular weight of 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole is 361.97 g/mol.
Where can I buy 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole?
You can request a quote for 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-3-methyl-2-((2-nitrophenyl)thio)-3H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.