Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester
TL;DR: Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester (CAS 3015-77-8) is a chemical compound with molecular formula C15H24NO5P and molecular weight 329.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(heptyl)phosphoryl]oxy-4-nitrobenzene
Also Known As: p-Nitrophenyl ethyl heptylphosphonate, ethyl 4-nitrophenyl heptylphosphonate, 1-[ethoxy(heptyl)phosphoryl]oxy-4-nitrobenzene, Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester, Heptylphosphonic acid ethyl p-nitrophenyl ester
| Molecular Formula | C15H24NO5P |
|---|---|
| Molecular Weight | 329.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 329.13922 |
| Heavy Atoms | 22 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 3015-77-8 |
|---|---|
| SMILES | CCCCCCCP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | HDCSKOHTFSPXEZ-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester (CAS 3015-77-8), with molecular formula C15H24NO5P and molecular weight 329.14 g/mol. IUPAC: 1-[ethoxy(heptyl)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester
Property Insights of Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester
The XLogP value of 4.4 indicates that Phosphonic acid, heptyl-, O-ethyl O-(p-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, heptyl-, O-ethyl O-(p-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphonic acid, heptyl-, O-ethyl O-(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, heptyl-, O-ethyl O-(p-nitrophenyl) ester?
The CAS number of Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester is 3015-77-8.
What is the molecular formula of Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester?
The molecular formula of Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester is C15H24NO5P.
What is the molecular weight of Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester?
The molecular weight of Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester is 329.14 g/mol.
Where can I buy Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester?
You can request a quote for Phosphonic acid, heptyl-, O-ethyl O-(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, heptyl-, O-ethyl O-(p-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.