Diethyl(1-nitropropyl)phosphonate
TL;DR: Diethyl(1-nitropropyl)phosphonate (CAS 71248-11-8) 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.
1-diethoxyphosphoryl-1-nitropropane
Also Known As: diethyl(1-nitropropyl)phosphonate, diethyl (1-nitropropyl)phosphonate, 1-diethoxyphosphoryl-1-nitropropane, (1-Nitropropyl)phosphonic acid diethyl ester, J1.349.511D
| Molecular Formula | C7H16NO5P |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.07661 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 71248-11-8 |
|---|---|
| SMILES | CCC([N+](=O)[O-])P(=O)(OCC)OCC |
| InChIKey | UCVFMTDYGKKVPT-UHFFFAOYSA-N |
Product Overview
Diethyl(1-nitropropyl)phosphonate (CAS 71248-11-8), with molecular formula C7H16NO5P and molecular weight 225.08 g/mol. IUPAC: 1-diethoxyphosphoryl-1-nitropropane.
Chemical Property Profile of Diethyl(1-nitropropyl)phosphonate
Property Insights of Diethyl(1-nitropropyl)phosphonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(1-nitropropyl)phosphonate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl(1-nitropropyl)phosphonate. Following Lipinski's Rule of Five, Diethyl(1-nitropropyl)phosphonate 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 Diethyl(1-nitropropyl)phosphonate?
The CAS number of Diethyl(1-nitropropyl)phosphonate is 71248-11-8.
What is the molecular formula of Diethyl(1-nitropropyl)phosphonate?
The molecular formula of Diethyl(1-nitropropyl)phosphonate is C7H16NO5P.
What is the molecular weight of Diethyl(1-nitropropyl)phosphonate?
The molecular weight of Diethyl(1-nitropropyl)phosphonate is 225.08 g/mol.
Where can I buy Diethyl(1-nitropropyl)phosphonate?
You can request a quote for Diethyl(1-nitropropyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(1-nitropropyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(1-nitropropyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.