4-Nitrophenyl P-methyl-P-phenylphosphinate
TL;DR: 4-Nitrophenyl P-methyl-P-phenylphosphinate (CAS 35691-25-9) is a chemical compound with molecular formula C13H12NO4P and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[methyl(phenyl)phosphoryl]oxy-4-nitrobenzene
Also Known As: 4-nitrophenyl-MPP, 4-Nitrophenyl methylphenylphosphinate, 4-nitrophenyl methyl(phenyl)phosphinate, O-4-(Nitrophenyl)methylphenyl phosphinate, Phosphinic acid, methylphenyl-, 4-nitrophenyl ester
| Molecular Formula | C13H12NO4P |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.05038 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 35691-25-9 |
|---|---|
| SMILES | CP(=O)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | PCEUKRKDODJUND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl P-methyl-P-phenylphosphinate (CAS 35691-25-9), with molecular formula C13H12NO4P and molecular weight 277.05 g/mol. IUPAC: 1-[methyl(phenyl)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of 4-Nitrophenyl P-methyl-P-phenylphosphinate
Property Insights of 4-Nitrophenyl P-methyl-P-phenylphosphinate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl P-methyl-P-phenylphosphinate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl P-methyl-P-phenylphosphinate. Following Lipinski's Rule of Five, 4-Nitrophenyl P-methyl-P-phenylphosphinate has 0 hydrogen bond donor(s) and 4 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 P-methyl-P-phenylphosphinate?
The CAS number of 4-Nitrophenyl P-methyl-P-phenylphosphinate is 35691-25-9.
What is the molecular formula of 4-Nitrophenyl P-methyl-P-phenylphosphinate?
The molecular formula of 4-Nitrophenyl P-methyl-P-phenylphosphinate is C13H12NO4P.
What is the molecular weight of 4-Nitrophenyl P-methyl-P-phenylphosphinate?
The molecular weight of 4-Nitrophenyl P-methyl-P-phenylphosphinate is 277.05 g/mol.
Where can I buy 4-Nitrophenyl P-methyl-P-phenylphosphinate?
You can request a quote for 4-Nitrophenyl P-methyl-P-phenylphosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl P-methyl-P-phenylphosphinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl P-methyl-P-phenylphosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.