1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)-
TL;DR: 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)- (CAS 142744-22-7) is a chemical compound with molecular formula C23H34N6O6S and molecular weight 522.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-(3-morpholin-4-ylpropyl)-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'-(3-(4-morpholinyl)propyl)-, 3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-(3-morpholin-4-ylpropyl)-4,6-dinitrobenzene-1,3-diamine, N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-N''-(3-morpholin-4-yl-propyl)-4,6-dinitro-benzene-1,3-diamine, N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N -(3-morpholinopropyl)benzene-1,5-diamine, N~1~-{2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N~3~-[3-(morpholin-4-yl)propyl]-4,6-dinitrobenzene-1,3-diamine
| Molecular Formula | C23H34N6O6S |
|---|---|
| Molecular Weight | 522.23 g/mol |
| LogP | 3.6371 |
| Topological Polar Surface Area | 139.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 522.2261 |
| Heavy Atoms | 36 |
| Complexity | 1010.9755 |
Chemical Identifiers
| CAS Number | 142744-22-7 |
|---|---|
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC2=C(C=C(C(=C2)NCCCN3CCOCC3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)- (CAS 142744-22-7), with molecular formula C23H34N6O6S and molecular weight 522.23 g/mol. IUPAC: 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-(3-morpholin-4-ylpropyl)-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'-(3-(4-morpholinyl)propyl)-
Property Insights of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)-
The XLogP value of 3.6371 indicates that 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.19 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'-(3-(4-morpholinyl)propyl)-. Following Lipinski's Rule of Five, 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)- has 2 hydrogen bond donor(s) and 11 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'-(3-(4-morpholinyl)propyl)-?
The CAS number of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)- is 142744-22-7.
What is the molecular formula of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)-?
The molecular formula of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)- is C23H34N6O6S.
What is the molecular weight of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)-?
The molecular weight of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)- is 522.23 g/mol.
Where can I buy 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)-?
You can request a quote for 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-(4-morpholinyl)propyl)- 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'-(3-(4-morpholinyl)propyl)-?
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'-(3-(4-morpholinyl)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.