Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester
TL;DR: Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester (CAS 5407-83-0) is a chemical compound with molecular formula C15H16NO5P and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[benzyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
Also Known As: p-Nitrophenyl ethyl benzylphosphonate, ethyl 4-nitrophenyl benzylphosphonate, O-(4-nitrophenyl)-O-ethylbenzylphosphonate, Phosphonic acid, benzyl-, ethyl p-nitrophenyl ester, 4-16-00-01094 (Beilstein Handbook Reference)
| Molecular Formula | C15H16NO5P |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.0766 |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 5407-83-0 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XLRKDDZTBFVOSU-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester (CAS 5407-83-0), with molecular formula C15H16NO5P and molecular weight 321.08 g/mol. IUPAC: 1-[benzyl(ethoxy)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester
Property Insights of Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester
The XLogP value of 3.0 indicates that Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester 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 Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester?
The CAS number of Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester is 5407-83-0.
What is the molecular formula of Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester?
The molecular formula of Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester is C15H16NO5P.
What is the molecular weight of Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester?
The molecular weight of Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester is 321.08 g/mol.
Where can I buy Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester?
You can request a quote for Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (phenylmethyl)-, ethyl 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.