3-Benzyl-2-phenyl-1H-indole
TL;DR: 3-Benzyl-2-phenyl-1H-indole (CAS 52604-16-7) is a chemical compound with molecular formula C21H17N and molecular weight 283.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-phenyl-1H-indole
Also Known As: 3-Benzyl-2-phenyl-1H-indole, 2-phenyl-3-benzylindole, 1H-Indole, 3-benzyl-2-phenyl-, 2-Phenyl-3-benzyl-1H-indole, 3-Benzyl-2-phenyl-1H-indole #
| Molecular Formula | C21H17N |
|---|---|
| Molecular Weight | 283.14 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.1361 |
| Heavy Atoms | 22 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 52604-16-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4 |
| InChIKey | MQFBSPASOVBTBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyl-2-phenyl-1H-indole (CAS 52604-16-7), with molecular formula C21H17N and molecular weight 283.14 g/mol. IUPAC: 3-benzyl-2-phenyl-1H-indole.
Chemical Property Profile of 3-Benzyl-2-phenyl-1H-indole
Property Insights of 3-Benzyl-2-phenyl-1H-indole
The XLogP value of 5.6 indicates that 3-Benzyl-2-phenyl-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.8 Ų, 3-Benzyl-2-phenyl-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-2-phenyl-1H-indole has 1 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzyl-2-phenyl-1H-indole?
The CAS number of 3-Benzyl-2-phenyl-1H-indole is 52604-16-7.
What is the molecular formula of 3-Benzyl-2-phenyl-1H-indole?
The molecular formula of 3-Benzyl-2-phenyl-1H-indole is C21H17N.
What is the molecular weight of 3-Benzyl-2-phenyl-1H-indole?
The molecular weight of 3-Benzyl-2-phenyl-1H-indole is 283.14 g/mol.
Where can I buy 3-Benzyl-2-phenyl-1H-indole?
You can request a quote for 3-Benzyl-2-phenyl-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-Benzyl-2-phenyl-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-phenyl-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.