Ethyl 4-nitrophenyl octylphosphonate
TL;DR: Ethyl 4-nitrophenyl octylphosphonate (CAS 3015-78-9) is a chemical compound with molecular formula C16H26NO5P and molecular weight 343.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(octyl)phosphoryl]oxy-4-nitrobenzene
Also Known As: p-Nitrophenyl ethyl octylphosphonate, ethyl 4-nitrophenyl octylphosphonate, p-Nitrophenylethyloctylphosphonate, Octylphosphonicacidethylp-nitrophenylester, 1-[ethoxy(octyl)phosphoryl]oxy-4-nitrobenzene
| Molecular Formula | C16H26NO5P |
|---|---|
| Molecular Weight | 343.15 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 343.15485 |
| Heavy Atoms | 23 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 3015-78-9 |
|---|---|
| SMILES | CCCCCCCCP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | MPURXCAUNNEKMR-UHFFFAOYSA-N |
Product Overview
Ethyl 4-nitrophenyl octylphosphonate (CAS 3015-78-9), with molecular formula C16H26NO5P and molecular weight 343.15 g/mol. IUPAC: 1-[ethoxy(octyl)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Ethyl 4-nitrophenyl octylphosphonate
Property Insights of Ethyl 4-nitrophenyl octylphosphonate
The XLogP value of 4.9 indicates that Ethyl 4-nitrophenyl octylphosphonate 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 Ethyl 4-nitrophenyl octylphosphonate. Following Lipinski's Rule of Five, Ethyl 4-nitrophenyl octylphosphonate 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 octylphosphonate?
The CAS number of Ethyl 4-nitrophenyl octylphosphonate is 3015-78-9.
What is the molecular formula of Ethyl 4-nitrophenyl octylphosphonate?
The molecular formula of Ethyl 4-nitrophenyl octylphosphonate is C16H26NO5P.
What is the molecular weight of Ethyl 4-nitrophenyl octylphosphonate?
The molecular weight of Ethyl 4-nitrophenyl octylphosphonate is 343.15 g/mol.
Where can I buy Ethyl 4-nitrophenyl octylphosphonate?
You can request a quote for Ethyl 4-nitrophenyl octylphosphonate 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 octylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitrophenyl octylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.