5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile
TL;DR: 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile (CAS 339098-49-6) is a chemical compound with molecular formula C22H14ClN3O2 and molecular weight 387.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-[(4-nitrophenyl)methyl]-3-phenylindole-2-carbonitrile
Also Known As: Bionet1_002927, 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile, 8K-901, 5-chloro-1-[(4-nitrophenyl)methyl]-3-phenylindole-2-carbonitrile, 5-chloro-1-[(4-nitrophenyl)methyl]-3-phenyl-1H-indole-2-carbonitrile
| Molecular Formula | C22H14ClN3O2 |
|---|---|
| Molecular Weight | 387.08 g/mol |
| LogP | 5.78988 |
| Topological Polar Surface Area | 71.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.07745 |
| Heavy Atoms | 28 |
| Complexity | 1222.8595 |
Chemical Identifiers
| CAS Number | 339098-49-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)Cl)CC4=CC=C(C=C4)[N+](=O)[O-])C#N |
Product Overview
5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile (CAS 339098-49-6), with molecular formula C22H14ClN3O2 and molecular weight 387.08 g/mol. IUPAC: 5-chloro-1-[(4-nitrophenyl)methyl]-3-phenylindole-2-carbonitrile.
Chemical Property Profile of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile
Property Insights of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile
The XLogP value of 5.78988 indicates that 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile. Following Lipinski's Rule of Five, 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile?
The CAS number of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile is 339098-49-6.
What is the molecular formula of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile?
The molecular formula of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile is C22H14ClN3O2.
What is the molecular weight of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile?
The molecular weight of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile is 387.08 g/mol.
Where can I buy 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile?
You can request a quote for 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.