4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate
TL;DR: 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate (CAS 21161-62-6) is a chemical compound with molecular formula C15H13N2O8P and molecular weight 380.04095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[methyl-(4-nitrophenoxy)phosphoryl]oxy-1-(4-nitrophenyl)ethanone
Also Known As: p-Nitrophenacyl p-nitrophenyl methylphosphonate, 4-nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate, methylphosphonicacid4-nitrophenyl2-2-oxoethylester, Methylphosphonicacid4-nitrophenyl2- -2-oxoethylester, Phosphonic acid, methyl-, p-nitrophenacyl p-nitrophenyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H13N2O8P |
| Molecular Weight | 380.04095 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.04095 Da |
| Heavy Atoms | 26 |
| Complexity | 571.0 |
| SMILES | CP(=O)(OCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | IILSLWCTSOCEAW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate
Property Insights of 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate. The TPSA of 144.0 Ų indicates high polarity, suggesting 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate?
The CAS number of 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate is 21161-62-6.
What is the molecular formula of 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate?
The molecular formula of 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate is C15H13N2O8P.
What is the molecular weight of 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate?
The molecular weight of 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate is 380.04095 g/mol.
Where can I buy 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate?
You can request a quote for 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate?
Yes, CoreyChem provides custom synthesis services for 4-Nitrophenyl 2-(4-nitrophenyl)-2-oxoethyl methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.