p-Nitrophenyl ethyl 4-chlorobutyl phosphonate
TL;DR: p-Nitrophenyl ethyl 4-chlorobutyl phosphonate (CAS 3015-81-4) is a chemical compound with molecular formula C12H17ClNO5P and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-chlorobutyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
Also Known As: p-Nitrophenyl ethyl 4-chlorobutyl phosphonate, Phosphonic acid, 4-chlorobutyl-, ethyl p-nitrophenyl ester, ethyl 4-nitrophenyl(4-chlorobutyl)phosphonate, Phosphonic acid, ethyl p-nitrophenyl ester, ethyl 4-nitrophenyl (4-chlorobutyl)phosphonate
| Molecular Formula | C12H17ClNO5P |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 321.05328 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 3015-81-4 |
|---|---|
| SMILES | CCOP(=O)(CCCCCl)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | AFQMAFCJJXJPHP-UHFFFAOYSA-N |
Product Overview
p-Nitrophenyl ethyl 4-chlorobutyl phosphonate (CAS 3015-81-4), with molecular formula C12H17ClNO5P and molecular weight 321.05 g/mol. IUPAC: 1-[4-chlorobutyl(ethoxy)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of p-Nitrophenyl ethyl 4-chlorobutyl phosphonate
Property Insights of p-Nitrophenyl ethyl 4-chlorobutyl phosphonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitrophenyl ethyl 4-chlorobutyl phosphonate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrophenyl ethyl 4-chlorobutyl phosphonate. Following Lipinski's Rule of Five, p-Nitrophenyl ethyl 4-chlorobutyl phosphonate 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 p-Nitrophenyl ethyl 4-chlorobutyl phosphonate?
The CAS number of p-Nitrophenyl ethyl 4-chlorobutyl phosphonate is 3015-81-4.
What is the molecular formula of p-Nitrophenyl ethyl 4-chlorobutyl phosphonate?
The molecular formula of p-Nitrophenyl ethyl 4-chlorobutyl phosphonate is C12H17ClNO5P.
What is the molecular weight of p-Nitrophenyl ethyl 4-chlorobutyl phosphonate?
The molecular weight of p-Nitrophenyl ethyl 4-chlorobutyl phosphonate is 321.05 g/mol.
Where can I buy p-Nitrophenyl ethyl 4-chlorobutyl phosphonate?
You can request a quote for p-Nitrophenyl ethyl 4-chlorobutyl phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrophenyl ethyl 4-chlorobutyl phosphonate?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrophenyl ethyl 4-chlorobutyl phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.