Phosphonic acid, ethyl-, butyl p-nitrophenyl ester
TL;DR: Phosphonic acid, ethyl-, butyl p-nitrophenyl ester (CAS 71002-67-0) is a chemical compound with molecular formula C12H18NO5P and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butoxy(ethyl)phosphoryl]oxy-4-nitrobenzene
Also Known As: Ethylphosphonic acid butyl p-nitrophenyl ester, butyl p-nitrophenyl ethylphosphonate, BUTYL 4-NITROPHENYL ETHYLPHOSPHONATE, Phosphonic acid, ethyl-, butyl p-nitrophenyl ester, Butyl p-nitrophenyl ester of ethylphosphonic acid
| Molecular Formula | C12H18NO5P |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 4.0033 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 287.09225 |
| Heavy Atoms | 19 |
| Complexity | 459.69247 |
Chemical Identifiers
| CAS Number | 71002-67-0 |
|---|---|
| SMILES | CCCCOP(=O)(CC)OC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Phosphonic acid, ethyl-, butyl p-nitrophenyl ester (CAS 71002-67-0), with molecular formula C12H18NO5P and molecular weight 287.09 g/mol. IUPAC: 1-[butoxy(ethyl)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Phosphonic acid, ethyl-, butyl p-nitrophenyl ester
Property Insights of Phosphonic acid, ethyl-, butyl p-nitrophenyl ester
The XLogP value of 4.0033 indicates that Phosphonic acid, ethyl-, butyl p-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, ethyl-, butyl p-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphonic acid, ethyl-, butyl 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-, butyl p-nitrophenyl ester?
The CAS number of Phosphonic acid, ethyl-, butyl p-nitrophenyl ester is 71002-67-0.
What is the molecular formula of Phosphonic acid, ethyl-, butyl p-nitrophenyl ester?
The molecular formula of Phosphonic acid, ethyl-, butyl p-nitrophenyl ester is C12H18NO5P.
What is the molecular weight of Phosphonic acid, ethyl-, butyl p-nitrophenyl ester?
The molecular weight of Phosphonic acid, ethyl-, butyl p-nitrophenyl ester is 287.09 g/mol.
Where can I buy Phosphonic acid, ethyl-, butyl p-nitrophenyl ester?
You can request a quote for Phosphonic acid, ethyl-, butyl 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-, butyl p-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, ethyl-, butyl p-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.