Ethyl 4-nitrophenyl P-ethylphosphonate
TL;DR: Ethyl 4-nitrophenyl P-ethylphosphonate (CAS 546-71-4) is a chemical compound with molecular formula C10H14NO5P and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(ethyl)phosphoryl]oxy-4-nitrobenzene
Also Known As: Armine, Armin, Arminum, Armeen, Armin (ester)
| Molecular Formula | C10H14NO5P |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.06097 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 546-71-4 |
|---|---|
| SMILES | CCOP(=O)(CC)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | XXUJMEYKYHETBZ-UHFFFAOYSA-N |
Product Overview
Ethyl 4-nitrophenyl P-ethylphosphonate (CAS 546-71-4), with molecular formula C10H14NO5P and molecular weight 259.06 g/mol. IUPAC: 1-[ethoxy(ethyl)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Ethyl 4-nitrophenyl P-ethylphosphonate
Property Insights of Ethyl 4-nitrophenyl P-ethylphosphonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-nitrophenyl P-ethylphosphonate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitrophenyl P-ethylphosphonate. Following Lipinski's Rule of Five, Ethyl 4-nitrophenyl P-ethylphosphonate 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 Ethyl 4-nitrophenyl P-ethylphosphonate?
The CAS number of Ethyl 4-nitrophenyl P-ethylphosphonate is 546-71-4.
What is the molecular formula of Ethyl 4-nitrophenyl P-ethylphosphonate?
The molecular formula of Ethyl 4-nitrophenyl P-ethylphosphonate is C10H14NO5P.
What is the molecular weight of Ethyl 4-nitrophenyl P-ethylphosphonate?
The molecular weight of Ethyl 4-nitrophenyl P-ethylphosphonate is 259.06 g/mol.
Where can I buy Ethyl 4-nitrophenyl P-ethylphosphonate?
You can request a quote for Ethyl 4-nitrophenyl P-ethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-nitrophenyl P-ethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitrophenyl P-ethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.