1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-
TL;DR: 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)- (CAS 142744-28-3) is a chemical compound with molecular formula C22H24FN5O5S and molecular weight 489.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-N-(4-fluorophenyl)-4,6-dinitrobenzene-1,3-diamine
Also Known As: 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-, 3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-(4-fluorophenyl)-4,6-dinitrobenzene-1,3-diamine, N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-N''-(4-fluoro-phenyl)-4,6-dinitro-benzene-1,3-diamine, N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N -(4-fluorophenyl)benzene-1,5-diamine, N~1~-{2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N~3~-(4-fluorophenyl)-4,6-dinitrobenzene-1,3-diamine
| Molecular Formula | C22H24FN5O5S |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 5.3856 |
| Topological Polar Surface Area | 126.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 489.14822 |
| Heavy Atoms | 34 |
| Complexity | 1153.087 |
Chemical Identifiers
| CAS Number | 142744-28-3 |
|---|---|
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=C(C=C3)F |
Product Overview
1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)- (CAS 142744-28-3), with molecular formula C22H24FN5O5S and molecular weight 489.15 g/mol. IUPAC: 1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-N-(4-fluorophenyl)-4,6-dinitrobenzene-1,3-diamine.
Chemical Property Profile of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-
Property Insights of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-
The XLogP value of 5.3856 indicates that 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-. Following Lipinski's Rule of Five, 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)- has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-?
The CAS number of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)- is 142744-28-3.
What is the molecular formula of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-?
The molecular formula of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)- is C22H24FN5O5S.
What is the molecular weight of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-?
The molecular weight of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)- is 489.15 g/mol.
Where can I buy 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-?
You can request a quote for 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.