Phosphonic acid, ethyl-, methyl p-nitrophenyl ester
TL;DR: Phosphonic acid, ethyl-, methyl p-nitrophenyl ester (CAS 15536-01-3) is a chemical compound with molecular formula C9H12NO5P and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethyl(methoxy)phosphoryl]oxy-4-nitrobenzene
Also Known As: Methyl p-nitrophenyl ethylphosphonate, methyl 4-nitrophenyl ethylphosphonate, 1-[ethyl(methoxy)phosphoryl]oxy-4-nitrobenzene, Methyl 4-nitrophenyl ethylphosphonatato, Ethylphosphonic acid p-nitrophenyl(methyl) ester
| Molecular Formula | C9H12NO5P |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0453 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 15536-01-3 |
|---|---|
| SMILES | CCP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | ANOLNVUBNLISAF-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, ethyl-, methyl p-nitrophenyl ester (CAS 15536-01-3), with molecular formula C9H12NO5P and molecular weight 245.05 g/mol. IUPAC: 1-[ethyl(methoxy)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Phosphonic acid, ethyl-, methyl p-nitrophenyl ester
Property Insights of Phosphonic acid, ethyl-, methyl p-nitrophenyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, ethyl-, methyl p-nitrophenyl ester. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, ethyl-, methyl p-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphonic acid, ethyl-, methyl p-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, ethyl-, methyl p-nitrophenyl ester?
The CAS number of Phosphonic acid, ethyl-, methyl p-nitrophenyl ester is 15536-01-3.
What is the molecular formula of Phosphonic acid, ethyl-, methyl p-nitrophenyl ester?
The molecular formula of Phosphonic acid, ethyl-, methyl p-nitrophenyl ester is C9H12NO5P.
What is the molecular weight of Phosphonic acid, ethyl-, methyl p-nitrophenyl ester?
The molecular weight of Phosphonic acid, ethyl-, methyl p-nitrophenyl ester is 245.05 g/mol.
Where can I buy Phosphonic acid, ethyl-, methyl p-nitrophenyl ester?
You can request a quote for Phosphonic acid, ethyl-, methyl p-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, ethyl-, methyl p-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, ethyl-, methyl p-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.