diethyl (2-nitro-1-phenylethyl)phosphonate
TL;DR: diethyl (2-nitro-1-phenylethyl)phosphonate (CAS 37909-65-2) is a chemical compound with molecular formula C12H18NO5P and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-diethoxyphosphoryl-2-nitroethyl)benzene
Also Known As: diethyl (2-nitro-1-phenylethyl)phosphonate, (1-diethoxyphosphoryl-2-nitroethyl)benzene, diethyl 2-nitro-1-phenylethylphosphonate, diethoxy(2-nitro-1-phenylethyl)phosphino-1-one, 1-Phenyl-2-nitroethylphosphonic acid diethyl ester
| Molecular Formula | C12H18NO5P |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 3.2705 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 287.09225 |
| Heavy Atoms | 19 |
| Complexity | 440.69278 |
Chemical Identifiers
| CAS Number | 37909-65-2 |
|---|---|
| SMILES | CCOP(=O)(C(C[N+](=O)[O-])C1=CC=CC=C1)OCC |
Product Overview
diethyl (2-nitro-1-phenylethyl)phosphonate (CAS 37909-65-2), with molecular formula C12H18NO5P and molecular weight 287.09 g/mol. IUPAC: (1-diethoxyphosphoryl-2-nitroethyl)benzene.
Chemical Property Profile of diethyl (2-nitro-1-phenylethyl)phosphonate
Property Insights of diethyl (2-nitro-1-phenylethyl)phosphonate
The XLogP value of 3.2705 indicates that diethyl (2-nitro-1-phenylethyl)phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl (2-nitro-1-phenylethyl)phosphonate. Following Lipinski's Rule of Five, diethyl (2-nitro-1-phenylethyl)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 (2-nitro-1-phenylethyl)phosphonate?
The CAS number of diethyl (2-nitro-1-phenylethyl)phosphonate is 37909-65-2.
What is the molecular formula of diethyl (2-nitro-1-phenylethyl)phosphonate?
The molecular formula of diethyl (2-nitro-1-phenylethyl)phosphonate is C12H18NO5P.
What is the molecular weight of diethyl (2-nitro-1-phenylethyl)phosphonate?
The molecular weight of diethyl (2-nitro-1-phenylethyl)phosphonate is 287.09 g/mol.
Where can I buy diethyl (2-nitro-1-phenylethyl)phosphonate?
You can request a quote for diethyl (2-nitro-1-phenylethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl (2-nitro-1-phenylethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl (2-nitro-1-phenylethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.