Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-
TL;DR: Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)- (CAS 142744-29-4) is a chemical compound with molecular formula C23H24N6O5S and molecular weight 496.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-2,4-dinitroanilino]benzonitrile
Also Known As: Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-, Benzonitrile, 2-[[5-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-2,4-dinitrophenyl]amino]-, 2-[5-({2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-2,4-dinitroanilino]benzonitrile, 2-[5-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-2,4-dinitroanilino]benzonitrile, 2-{[5-({2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-2,4-dinitrophenyl]amino}benzonitrile
| Molecular Formula | C23H24N6O5S |
|---|---|
| Molecular Weight | 496.15 g/mol |
| LogP | 5.11818 |
| Topological Polar Surface Area | 150.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 496.1529 |
| Heavy Atoms | 35 |
| Complexity | 1253.4392 |
Chemical Identifiers
| CAS Number | 142744-29-4 |
|---|---|
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=CC=C3C#N |
Product Overview
Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)- (CAS 142744-29-4), with molecular formula C23H24N6O5S and molecular weight 496.15 g/mol. IUPAC: 2-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-2,4-dinitroanilino]benzonitrile.
Chemical Property Profile of Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-
Property Insights of Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-
The XLogP value of 5.11818 indicates that Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.51 Ų indicates high polarity, suggesting Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)- has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-?
The CAS number of Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)- is 142744-29-4.
What is the molecular formula of Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-?
The molecular formula of Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)- is C23H24N6O5S.
What is the molecular weight of Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-?
The molecular weight of Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)- is 496.15 g/mol.
Where can I buy Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-?
You can request a quote for Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.