Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate
TL;DR: Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate (CAS 50652-91-0) is a chemical compound with molecular formula C11H16NO6P and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxyphosphoryl-(3-nitrophenyl)methanol
Also Known As: 3-Heptenoic acid,methyl ester, Phosphonic acid, diethyl ester, diethoxyphosphoryl-(3-nitrophenyl)methanol, AI3-17795, diethyl [hydroxy(3-nitrophenyl)methyl]phosphonate
| Molecular Formula | C11H16NO6P |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.07153 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
| Solubility | 39.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 50652-91-0 |
|---|---|
| SMILES | CCOP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])O)OCC |
| InChIKey | XQHANJBMOMOBPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate (CAS 50652-91-0), with molecular formula C11H16NO6P and molecular weight 289.07 g/mol. IUPAC: diethoxyphosphoryl-(3-nitrophenyl)methanol.
Chemical Property Profile of Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate
Property Insights of Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate. Following Lipinski's Rule of Five, Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate has 1 hydrogen bond donor(s) and 6 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 P-(hydroxy(3-nitrophenyl)methyl)phosphonate?
The CAS number of Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate is 50652-91-0.
What is the molecular formula of Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate?
The molecular formula of Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate is C11H16NO6P.
What is the molecular weight of Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate?
The molecular weight of Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate is 289.07 g/mol.
Where can I buy Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate?
You can request a quote for Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.