4-Nitrophenyl 4-methylphenacyl methylphosphonate
TL;DR: 4-Nitrophenyl 4-methylphenacyl methylphosphonate (CAS 22739-60-2) is a chemical compound with molecular formula C16H16NO6P and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl-(4-nitrophenoxy)phosphoryl]oxy-1-(4-methylphenyl)ethanone
Also Known As: 4-Mpmn, 4-Nitrophenyl 4-methylphenacyl methylphosphonate, 2-[methyl-(4-nitrophenoxy)phosphoryl]oxy-1-(4-methylphenyl)ethanone, 2-(4-methylphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate, Phosphonic acid, methyl-, 2-(4-methylphenyl)-2-oxoethyl 4-nitrophenyl ester
| Molecular Formula | C16H16NO6P |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.07153 |
| Heavy Atoms | 24 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 22739-60-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)COP(=O)(C)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | YMDSFQNYSQXCJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl 4-methylphenacyl methylphosphonate (CAS 22739-60-2), with molecular formula C16H16NO6P and molecular weight 349.07 g/mol. IUPAC: 2-[methyl-(4-nitrophenoxy)phosphoryl]oxy-1-(4-methylphenyl)ethanone.
Chemical Property Profile of 4-Nitrophenyl 4-methylphenacyl methylphosphonate
Property Insights of 4-Nitrophenyl 4-methylphenacyl methylphosphonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl 4-methylphenacyl methylphosphonate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 4-methylphenacyl methylphosphonate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-methylphenacyl 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 4-Nitrophenyl 4-methylphenacyl methylphosphonate?
The CAS number of 4-Nitrophenyl 4-methylphenacyl methylphosphonate is 22739-60-2.
What is the molecular formula of 4-Nitrophenyl 4-methylphenacyl methylphosphonate?
The molecular formula of 4-Nitrophenyl 4-methylphenacyl methylphosphonate is C16H16NO6P.
What is the molecular weight of 4-Nitrophenyl 4-methylphenacyl methylphosphonate?
The molecular weight of 4-Nitrophenyl 4-methylphenacyl methylphosphonate is 349.07 g/mol.
Where can I buy 4-Nitrophenyl 4-methylphenacyl methylphosphonate?
You can request a quote for 4-Nitrophenyl 4-methylphenacyl methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 4-methylphenacyl methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-methylphenacyl methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.