5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide
TL;DR: 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide (CAS 339098-47-4) is a chemical compound with molecular formula C22H16ClN3O3 and molecular weight 405.09 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-carboxamide
Also Known As: 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide, 8K-900, 5-chloro-1-[(4-nitrophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide, 5-chloro-1-[(4-nitrophenyl)methyl]-3-phenylindole-2-carboxamide
| Molecular Formula | C22H16ClN3O3 |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 5.0171 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.088 |
| Heavy Atoms | 29 |
| Complexity | 1231.8899 |
Chemical Identifiers
| CAS Number | 339098-47-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)Cl)CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N |
Product Overview
5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide (CAS 339098-47-4), with molecular formula C22H16ClN3O3 and molecular weight 405.09 g/mol. IUPAC: 5-chloro-1-[(4-nitrophenyl)methyl]-3-phenylindole-2-carboxamide.
Chemical Property Profile of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide
Property Insights of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide
The XLogP value of 5.0171 indicates that 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide. Following Lipinski's Rule of Five, 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide has 1 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-carboxamide?
The CAS number of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide is 339098-47-4.
What is the molecular formula of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide?
The molecular formula of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide is C22H16ClN3O3.
What is the molecular weight of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide?
The molecular weight of 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide is 405.09 g/mol.
Where can I buy 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide?
You can request a quote for 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide 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-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.