p-Chlorophenacyl p-nitrophenyl methylphosphonate
TL;DR: p-Chlorophenacyl p-nitrophenyl methylphosphonate (CAS 21070-23-5) is a chemical compound with molecular formula C15H13ClNO6P and molecular weight 369.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxyethanone
Also Known As: p-Chlorophenacyl p-nitrophenyl methylphosphonate, 2-(4-chlorophenyl)-2-oxoethyl4-nitrophenyl methylphosphonate, Phosphonic acid, methyl-, p-chlorophenacyl p-nitrophenyl ester, 1-(4-CHLOROPHENYL)-2-[METHYL-(4-NITROPHENOXY)PHOSPHORYL]OXY-ETHANONE, 1-(4-chlorophenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxyethanone
| Molecular Formula | C15H13ClNO6P |
|---|---|
| Molecular Weight | 369.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.0169 |
| Heavy Atoms | 24 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 21070-23-5 |
|---|---|
| SMILES | CP(=O)(OCC(=O)C1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | CNYZNXDOUMMOLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Chlorophenacyl p-nitrophenyl methylphosphonate (CAS 21070-23-5), with molecular formula C15H13ClNO6P and molecular weight 369.02 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxyethanone.
Chemical Property Profile of p-Chlorophenacyl p-nitrophenyl methylphosphonate
Property Insights of p-Chlorophenacyl p-nitrophenyl methylphosphonate
The XLogP value of 3.2 indicates that p-Chlorophenacyl p-nitrophenyl methylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Chlorophenacyl p-nitrophenyl methylphosphonate. Following Lipinski's Rule of Five, p-Chlorophenacyl p-nitrophenyl methylphosphonate has 0 hydrogen bond donor(s) and 6 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-Chlorophenacyl p-nitrophenyl methylphosphonate?
The CAS number of p-Chlorophenacyl p-nitrophenyl methylphosphonate is 21070-23-5.
What is the molecular formula of p-Chlorophenacyl p-nitrophenyl methylphosphonate?
The molecular formula of p-Chlorophenacyl p-nitrophenyl methylphosphonate is C15H13ClNO6P.
What is the molecular weight of p-Chlorophenacyl p-nitrophenyl methylphosphonate?
The molecular weight of p-Chlorophenacyl p-nitrophenyl methylphosphonate is 369.02 g/mol.
Where can I buy p-Chlorophenacyl p-nitrophenyl methylphosphonate?
You can request a quote for p-Chlorophenacyl p-nitrophenyl methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Chlorophenacyl p-nitrophenyl methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for p-Chlorophenacyl p-nitrophenyl methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.