2-Diethoxyphosphoryl-1-nitropropane
TL;DR: 2-Diethoxyphosphoryl-1-nitropropane (CAS 42591-64-0) is a chemical compound with molecular formula C7H16NO5P and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphoryl-1-nitropropane
Also Known As: 2-diethoxyphosphoryl-1-nitropropane, 2-diethoxyphosphoryl-1-nitro-propane, Diethyl (1-nitropropan-2-yl)phosphonate, 6-[(E)-Hydroxyimino]-hexanoic acid ethyl ester, Phosphonic acid, (1-methyl-2-nitroethyl)-, diethyl ester
| Molecular Formula | C7H16NO5P |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 1.9177 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 225.07661 |
| Heavy Atoms | 14 |
| Complexity | 222.12004 |
Chemical Identifiers
| CAS Number | 42591-64-0 |
|---|---|
| SMILES | CCOP(=O)(C(C)C[N+](=O)[O-])OCC |
Product Overview
2-Diethoxyphosphoryl-1-nitropropane (CAS 42591-64-0), with molecular formula C7H16NO5P and molecular weight 225.08 g/mol. IUPAC: 2-diethoxyphosphoryl-1-nitropropane.
Chemical Property Profile of 2-Diethoxyphosphoryl-1-nitropropane
Property Insights of 2-Diethoxyphosphoryl-1-nitropropane
The XLogP value of 1.9177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Diethoxyphosphoryl-1-nitropropane. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Diethoxyphosphoryl-1-nitropropane. Following Lipinski's Rule of Five, 2-Diethoxyphosphoryl-1-nitropropane has 0 hydrogen bond donor(s) and 5 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 2-Diethoxyphosphoryl-1-nitropropane?
The CAS number of 2-Diethoxyphosphoryl-1-nitropropane is 42591-64-0.
What is the molecular formula of 2-Diethoxyphosphoryl-1-nitropropane?
The molecular formula of 2-Diethoxyphosphoryl-1-nitropropane is C7H16NO5P.
What is the molecular weight of 2-Diethoxyphosphoryl-1-nitropropane?
The molecular weight of 2-Diethoxyphosphoryl-1-nitropropane is 225.08 g/mol.
Where can I buy 2-Diethoxyphosphoryl-1-nitropropane?
You can request a quote for 2-Diethoxyphosphoryl-1-nitropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Diethoxyphosphoryl-1-nitropropane?
Yes, KEHONG BIO provides custom synthesis services for 2-Diethoxyphosphoryl-1-nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.