N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine
TL;DR: N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine (CAS 138878-42-9) is a chemical compound with molecular formula C26H36N6O6S2 and molecular weight 592.21375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,3-N-bis[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine
Also Known As: N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine, 1,3-Benzenediamine, N,N'-bis(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-, 1-N,3-N-bis[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine, N,N -Bis[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-4,6-dinitro-1,3-benzenediamine, N,N''-Bis-[2-(5-dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-benzene-1,3-diamine
Technical Specifications
| Molecular Formula | C26H36N6O6S2 |
| Molecular Weight | 592.21375 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 199.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 592.21375 Da |
| Heavy Atoms | 40 |
| Complexity | 713.0 |
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NCCSCC3=CC=C(O3)CN(C)C |
| InChIKey | OVYGDFDMZNYEGZ-UHFFFAOYSA-N |
Chemical Property Profile of N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine
Property Insights of N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine
The XLogP value of 4.9 indicates that N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine?
The CAS number of N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine is 138878-42-9.
What is the molecular formula of N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine?
The molecular formula of N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine is C26H36N6O6S2.
What is the molecular weight of N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine?
The molecular weight of N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine is 592.21375 g/mol.
Where can I buy N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine?
You can request a quote for N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine?
Yes, CoreyChem provides custom synthesis services for N,N'-Bis(2-(5-(dimethylaminomethyl)-2-furanyl)methylthioethyl)-4,6-dinitro-1,3-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.