N-(1,1-dinitroethoxy)-2-nitroethanimine
TL;DR: N-(1,1-dinitroethoxy)-2-nitroethanimine (CAS 10565-52-3) is a chemical compound with molecular formula C4H6N4O7 and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dinitroethoxy)-2-nitroethanimine
Also Known As: 1-Nitroacetaldehyde O-(1,1-dinitroethyl)oxime, Ethanone, 1-nitro-,O-(1,1-dinitroethyl)oxime, Acetaldehyde, 1-nitro-, O-(1,1-dinitroethyl)oxime
| Molecular Formula | C4H6N4O7 |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.02365 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 10565-52-3 |
|---|---|
| SMILES | CC([N+](=O)[O-])([N+](=O)[O-])ON=CC[N+](=O)[O-] |
| InChIKey | CDGXKKXUKUPRTJ-UHFFFAOYSA-N |
Product Overview
N-(1,1-dinitroethoxy)-2-nitroethanimine (CAS 10565-52-3), with molecular formula C4H6N4O7 and molecular weight 222.02 g/mol. IUPAC: N-(1,1-dinitroethoxy)-2-nitroethanimine.
Chemical Property Profile of N-(1,1-dinitroethoxy)-2-nitroethanimine
Property Insights of N-(1,1-dinitroethoxy)-2-nitroethanimine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dinitroethoxy)-2-nitroethanimine. The TPSA of 159.0 Ų indicates high polarity, suggesting N-(1,1-dinitroethoxy)-2-nitroethanimine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1,1-dinitroethoxy)-2-nitroethanimine 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 N-(1,1-dinitroethoxy)-2-nitroethanimine?
The CAS number of N-(1,1-dinitroethoxy)-2-nitroethanimine is 10565-52-3.
What is the molecular formula of N-(1,1-dinitroethoxy)-2-nitroethanimine?
The molecular formula of N-(1,1-dinitroethoxy)-2-nitroethanimine is C4H6N4O7.
What is the molecular weight of N-(1,1-dinitroethoxy)-2-nitroethanimine?
The molecular weight of N-(1,1-dinitroethoxy)-2-nitroethanimine is 222.02 g/mol.
Where can I buy N-(1,1-dinitroethoxy)-2-nitroethanimine?
You can request a quote for N-(1,1-dinitroethoxy)-2-nitroethanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dinitroethoxy)-2-nitroethanimine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dinitroethoxy)-2-nitroethanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.