1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-
TL;DR: 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso- (CAS 81574-46-1) is a chemical compound with molecular formula C13H23N5O4S and molecular weight 345.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-2-nitroethyl]-N-methylnitrous amide
Also Known As: 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-, N'-(2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-1,1-ethanediamine, N-[1-({2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-2-nitroethyl]-N-methylnitrous amide, N-[1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-2-nitroethyl]-N-methylnitrous amide, N-[1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-2-nitroethyl]-N-methylnitrous amide
| Molecular Formula | C13H23N5O4S |
|---|---|
| Molecular Weight | 345.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 345.14706 |
| Heavy Atoms | 23 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 81574-46-1 |
|---|---|
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC(C[N+](=O)[O-])N(C)N=O |
| InChIKey | DFFRRWAFZBCUIP-UHFFFAOYSA-N |
Product Overview
1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso- (CAS 81574-46-1), with molecular formula C13H23N5O4S and molecular weight 345.15 g/mol. IUPAC: N-[1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-2-nitroethyl]-N-methylnitrous amide.
Chemical Property Profile of 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-
Property Insights of 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-. Following Lipinski's Rule of Five, 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso- has 1 hydrogen bond donor(s) and 9 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 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-?
The CAS number of 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso- is 81574-46-1.
What is the molecular formula of 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-?
The molecular formula of 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso- is C13H23N5O4S.
What is the molecular weight of 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-?
The molecular weight of 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso- is 345.15 g/mol.
Where can I buy 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-?
You can request a quote for 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Ethanediamine, N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N-methyl-2-nitro-N-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.