1-(4-Nitrobenzyl)indole
TL;DR: 1-(4-Nitrobenzyl)indole (CAS 116611-36-0) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-nitrophenyl)methyl]indole
Also Known As: 1-(4-Nitrobenzyl)indole, 1-[(4-nitrophenyl)methyl]indole, 1H-Indole,1-[(4-nitrophenyl)methyl]-, 1-[(4-Nitrophenyl)methyl]-1H-indole
Technical Specifications
| Molecular Formula | C15H12N2O2 |
| Molecular Weight | 252.08987 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08987 Da |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
| SMILES | C1=CC=C2C(=C1)C=CN2CC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | RVPTXIBMGYNFNG-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Nitrobenzyl)indole
Property Insights of 1-(4-Nitrobenzyl)indole
The XLogP value of 3.4 indicates that 1-(4-Nitrobenzyl)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 1-(4-Nitrobenzyl)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Nitrobenzyl)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
What is the CAS number of 1-(4-Nitrobenzyl)indole?
The CAS number of 1-(4-Nitrobenzyl)indole is 116611-36-0.
What is the molecular formula of 1-(4-Nitrobenzyl)indole?
The molecular formula of 1-(4-Nitrobenzyl)indole is C15H12N2O2.
What is the molecular weight of 1-(4-Nitrobenzyl)indole?
The molecular weight of 1-(4-Nitrobenzyl)indole is 252.08987 g/mol.
Where can I buy 1-(4-Nitrobenzyl)indole?
You can request a quote for 1-(4-Nitrobenzyl)indole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Nitrobenzyl)indole?
Yes, CoreyChem provides custom synthesis services for 1-(4-Nitrobenzyl)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.