Fenitrooxon
TL;DR: Fenitrooxon (CAS 2255-17-6) is a chemical compound with molecular formula C9H12NO6P and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (3-methyl-4-nitrophenyl) phosphate
Also Known As: Fenitrooxone, Fenitrooxon, Fenitroxon, Fenitrothion oxon, Metaoxon
| Molecular Formula | C9H12NO6P |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.04022 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 2255-17-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OP(=O)(OC)OC)[N+](=O)[O-] |
| InChIKey | MJNAIAPNXYJWCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fenitrooxon (CAS 2255-17-6), with molecular formula C9H12NO6P and molecular weight 261.04 g/mol. IUPAC: dimethyl (3-methyl-4-nitrophenyl) phosphate.
Chemical Property Profile of Fenitrooxon
Property Insights of Fenitrooxon
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fenitrooxon. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Fenitrooxon. Following Lipinski's Rule of Five, Fenitrooxon 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 Fenitrooxon?
The CAS number of Fenitrooxon is 2255-17-6.
What is the molecular formula of Fenitrooxon?
The molecular formula of Fenitrooxon is C9H12NO6P.
What is the molecular weight of Fenitrooxon?
The molecular weight of Fenitrooxon is 261.04 g/mol.
Where can I buy Fenitrooxon?
You can request a quote for Fenitrooxon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fenitrooxon?
Yes, KEHONG BIO provides custom synthesis services for Fenitrooxon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.