二乙基乙烷-1,2-二基双(硝基氨基甲酸酯)
TL;DR: 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯) (CAS 2639-89-6) is a chemical compound with molecular formula C8H14N4O8 and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二乙基乙烷-1,2-二基双(硝基氨基甲酸酯)
ethyl N-[2-[ethoxycarbonyl(nitro)amino]ethyl]-N-nitrocarbamate
Also Known As: diethyl 1,2-ethanediylbis(nitrocarbamate), Diethyl ethane-1,2-diylbis(nitrocarbamate), ethyl N-[2-[ethoxycarbonyl(nitro)amino]ethyl]-N-nitrocarbamate, Carbamicacid, 1,2-ethanediylbis[nitro-, diethyl ester (9CI), RefChem:337724
| Molecular Formula | C8H14N4O8 |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.08118 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 2639-89-6 |
|---|---|
| SMILES | CCOC(=O)N(CCN(C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PEXBHYSDEISBRM-UHFFFAOYSA-N |
Product Overview
二乙基乙烷-1,2-二基双(硝基氨基甲酸酯) (CAS 2639-89-6), with molecular formula C8H14N4O8 and molecular weight 294.08 g/mol. IUPAC: ethyl N-[2-[ethoxycarbonyl(nitro)amino]ethyl]-N-nitrocarbamate.
Chemical Property Profile of 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯)
Property Insights of 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯)
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯). The TPSA of 151.0 Ų indicates high polarity, suggesting 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯) has 0 hydrogen bond donor(s) and 8 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 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯)?
The CAS number of 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯) is 2639-89-6.
What is the molecular formula of 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯)?
The molecular formula of 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯) is C8H14N4O8.
What is the molecular weight of 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯)?
The molecular weight of 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯) is 294.08 g/mol.
Where can I buy 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯)?
You can request a quote for 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯)?
Yes, KEHONG BIO provides custom synthesis services for 二乙基乙烷-1,2-二基双(硝基氨基甲酸酯) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.