5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t
TL;DR: 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t (CAS 864848-38-4) is a chemical compound with molecular formula C17H12ClN3O3S2 and molecular weight 405.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylidene]-3-[(4-nitroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t, 5-[(4-chlorophenyl)methylidene]-3-[(4-nitroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C17H12ClN3O3S2 |
|---|---|
| Molecular Weight | 405.00 g/mol |
| LogP | 4.519 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.00085 |
| Heavy Atoms | 26 |
| Complexity | 898.47406 |
Chemical Identifiers
| CAS Number | 864848-38-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t (CAS 864848-38-4), with molecular formula C17H12ClN3O3S2 and molecular weight 405.00 g/mol. IUPAC: 5-[(4-chlorophenyl)methylidene]-3-[(4-nitroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t
Property Insights of 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t
The XLogP value of 4.519 indicates that 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t. Following Lipinski's Rule of Five, 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t?
The CAS number of 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t is 864848-38-4.
What is the molecular formula of 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t?
The molecular formula of 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t is C17H12ClN3O3S2.
What is the molecular weight of 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t?
The molecular weight of 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t is 405.00 g/mol.
Where can I buy 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t?
You can request a quote for 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorobenzylidene)-3-(((4-nitrophenyl)amino)methyl)-2-t and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.