N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide
TL;DR: N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide (CAS 532973-41-4) is a chemical compound with molecular formula C24H20ClN3O3S and molecular weight 465.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitrobenzamide
Also Known As: N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide, F0554-0464, N-[2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-nitrobenzamide, N-[2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitrobenzamide, N-[2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide
| Molecular Formula | C24H20ClN3O3S |
|---|---|
| Molecular Weight | 465.09 g/mol |
| LogP | 5.9252 |
| Topological Polar Surface Area | 77.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.0914 |
| Heavy Atoms | 32 |
| Complexity | 1253.9758 |
Chemical Identifiers
| CAS Number | 532973-41-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)Cl |
Product Overview
N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide (CAS 532973-41-4), with molecular formula C24H20ClN3O3S and molecular weight 465.09 g/mol. IUPAC: N-[2-[3-[(4-chlorophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitrobenzamide.
Chemical Property Profile of N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide
Property Insights of N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide
The XLogP value of 5.9252 indicates that N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide?
The CAS number of N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide is 532973-41-4.
What is the molecular formula of N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide?
The molecular formula of N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide is C24H20ClN3O3S.
What is the molecular weight of N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide?
The molecular weight of N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide is 465.09 g/mol.
Where can I buy N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide?
You can request a quote for N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(3-((4-chlorobenzyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.