2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate
TL;DR: 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate (CAS 21070-22-4) is a chemical compound with molecular formula C16H16NO7P and molecular weight 365.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxyethanone
Also Known As: p-Methoxyphenacyl p-nitrophenyl methylphosphonate, 1-2-[methyl- phosphoryl]oxy-ethanone, 2-(4-methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate, Phosphonic acid, methyl-, p-methoxyphenacyl p-nitrophenyl ester, 1-(4-methoxyphenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxyethanone
| Molecular Formula | C16H16NO7P |
|---|---|
| Molecular Weight | 365.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.06644 |
| Heavy Atoms | 25 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 21070-22-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)COP(=O)(C)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | CXUJPWFLLYPAPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate (CAS 21070-22-4), with molecular formula C16H16NO7P and molecular weight 365.07 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxyethanone.
Chemical Property Profile of 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate
Property Insights of 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate has 0 hydrogen bond donor(s) and 7 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 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate?
The CAS number of 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate is 21070-22-4.
What is the molecular formula of 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate?
The molecular formula of 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate is C16H16NO7P.
What is the molecular weight of 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate?
The molecular weight of 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate is 365.07 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate?
You can request a quote for 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-2-oxoethyl 4-nitrophenyl methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.