三(3-甲基-4-硝基苯基)磷酸酯
TL;DR: 三(3-甲基-4-硝基苯基)磷酸酯 (CAS 68527-98-0) is a chemical compound with molecular formula C21H18N3O10P and molecular weight 503.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三(3-甲基-4-硝基苯基)磷酸酯
tris(3-methyl-4-nitrophenyl) phosphate
Also Known As: Tris phosphate, tris(3-methyl-4-nitrophenyl) phosphate, Tris(4-nitro-m-tolyl) phosphate, aluminum tritetradecan-1-olate, Phenol, 3-methyl-4-nitro-, phosphate (3:1) (ester)
| Molecular Formula | C21H18N3O10P |
|---|---|
| Molecular Weight | 503.07 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.07297 |
| Heavy Atoms | 35 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 68527-98-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OP(=O)(OC2=CC(=C(C=C2)[N+](=O)[O-])C)OC3=CC(=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-] |
| InChIKey | SNIKDGGXGSYRMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三(3-甲基-4-硝基苯基)磷酸酯 (CAS 68527-98-0), with molecular formula C21H18N3O10P and molecular weight 503.07 g/mol. IUPAC: tris(3-methyl-4-nitrophenyl) phosphate.
Chemical Property Profile of 三(3-甲基-4-硝基苯基)磷酸酯
Property Insights of 三(3-甲基-4-硝基苯基)磷酸酯
The XLogP value of 5.5 indicates that 三(3-甲基-4-硝基苯基)磷酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.0 Ų indicates high polarity, suggesting 三(3-甲基-4-硝基苯基)磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 三(3-甲基-4-硝基苯基)磷酸酯 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三(3-甲基-4-硝基苯基)磷酸酯?
The CAS number of 三(3-甲基-4-硝基苯基)磷酸酯 is 68527-98-0.
What is the molecular formula of 三(3-甲基-4-硝基苯基)磷酸酯?
The molecular formula of 三(3-甲基-4-硝基苯基)磷酸酯 is C21H18N3O10P.
What is the molecular weight of 三(3-甲基-4-硝基苯基)磷酸酯?
The molecular weight of 三(3-甲基-4-硝基苯基)磷酸酯 is 503.07 g/mol.
Where can I buy 三(3-甲基-4-硝基苯基)磷酸酯?
You can request a quote for 三(3-甲基-4-硝基苯基)磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三(3-甲基-4-硝基苯基)磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 三(3-甲基-4-硝基苯基)磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.