1,1-Diethoxy-2-nitroethane
TL;DR: 1,1-Diethoxy-2-nitroethane (CAS 34560-16-2) is a chemical compound with molecular formula C6H13NO4 and molecular weight 163.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethoxy-2-nitroethane
Also Known As: 1,1-diethoxy-2-nitroethane, Ethane, 1,1-diethoxy-2-nitro-, Nitroacetaldehyde diethyl acetal, Nitroacetaldehyde diethylacetal, 1,1-diethoxy-2-nitro-ethane
| Molecular Formula | C6H13NO4 |
|---|---|
| Molecular Weight | 163.08 g/mol |
| LogP | 0.6622 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 163.08446 |
| Heavy Atoms | 11 |
| Complexity | 111.14991 |
Chemical Identifiers
| CAS Number | 34560-16-2 |
|---|---|
| SMILES | CCOC(C[N+](=O)[O-])OCC |
Product Overview
1,1-Diethoxy-2-nitroethane (CAS 34560-16-2), with molecular formula C6H13NO4 and molecular weight 163.08 g/mol. IUPAC: 1,1-diethoxy-2-nitroethane.
Chemical Property Profile of 1,1-Diethoxy-2-nitroethane
Property Insights of 1,1-Diethoxy-2-nitroethane
The XLogP value of 0.6622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethoxy-2-nitroethane. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Diethoxy-2-nitroethane. Following Lipinski's Rule of Five, 1,1-Diethoxy-2-nitroethane has 0 hydrogen bond donor(s) and 4 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-Diethoxy-2-nitroethane?
The CAS number of 1,1-Diethoxy-2-nitroethane is 34560-16-2.
What is the molecular formula of 1,1-Diethoxy-2-nitroethane?
The molecular formula of 1,1-Diethoxy-2-nitroethane is C6H13NO4.
What is the molecular weight of 1,1-Diethoxy-2-nitroethane?
The molecular weight of 1,1-Diethoxy-2-nitroethane is 163.08 g/mol.
Where can I buy 1,1-Diethoxy-2-nitroethane?
You can request a quote for 1,1-Diethoxy-2-nitroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethoxy-2-nitroethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethoxy-2-nitroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.