Butyl 4-nitrophenyl butylphosphonate
TL;DR: Butyl 4-nitrophenyl butylphosphonate (CAS 71002-68-1) is a chemical compound with molecular formula C14H22NO5P and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butoxy(butyl)phosphoryl]oxy-4-nitrobenzene
Also Known As: Butylphosphonic acid butyl p-nitrophenyl ester, BUTYL 4-NITROPHENYL BUTYLPHOSPHONATE, Butyl para-nitrophenyl ester of butylphosphonic acid, Phosphonic acid, butyl-, butyl p-nitrophenyl ester, 1-[butoxy(butyl)phosphoryl]oxy-4-nitrobenzene
| Molecular Formula | C14H22NO5P |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 4.7835 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 315.12357 |
| Heavy Atoms | 21 |
| Complexity | 488.64267 |
Chemical Identifiers
| CAS Number | 71002-68-1 |
|---|---|
| SMILES | CCCCOP(=O)(CCCC)OC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Butyl 4-nitrophenyl butylphosphonate (CAS 71002-68-1), with molecular formula C14H22NO5P and molecular weight 315.12 g/mol. IUPAC: 1-[butoxy(butyl)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Butyl 4-nitrophenyl butylphosphonate
Property Insights of Butyl 4-nitrophenyl butylphosphonate
The XLogP value of 4.7835 indicates that Butyl 4-nitrophenyl butylphosphonate 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 Butyl 4-nitrophenyl butylphosphonate. Following Lipinski's Rule of Five, Butyl 4-nitrophenyl butylphosphonate 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 Butyl 4-nitrophenyl butylphosphonate?
The CAS number of Butyl 4-nitrophenyl butylphosphonate is 71002-68-1.
What is the molecular formula of Butyl 4-nitrophenyl butylphosphonate?
The molecular formula of Butyl 4-nitrophenyl butylphosphonate is C14H22NO5P.
What is the molecular weight of Butyl 4-nitrophenyl butylphosphonate?
The molecular weight of Butyl 4-nitrophenyl butylphosphonate is 315.12 g/mol.
Where can I buy Butyl 4-nitrophenyl butylphosphonate?
You can request a quote for Butyl 4-nitrophenyl butylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-nitrophenyl butylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-nitrophenyl butylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.