Tris(5-methyl-2-nitrophenyl) phosphate
TL;DR: Tris(5-methyl-2-nitrophenyl) phosphate (CAS 201742-26-9) 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.
tris(5-methyl-2-nitrophenyl) phosphate
Also Known As: Tris(5-methyl-2-nitrophenyl) phosphate, 5-Methyl-2-nitrophenylphosphate (3:1) ester, Phenol, 5-methyl-2-nitro-, 1,1',1''-phosphate, 2-bis(5-methyl-2-nitro-phenoxy)phosphoryloxy-4-methyl-1-nitro-benzene, RefChem:386677
| Molecular Formula | C21H18N3O10P |
|---|---|
| Molecular Weight | 503.07 g/mol |
| LogP | 5.98136 |
| Topological Polar Surface Area | 174.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.07297 |
| Heavy Atoms | 35 |
| Complexity | 1226.5261 |
Chemical Identifiers
| CAS Number | 201742-26-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])OP(=O)(OC2=C(C=CC(=C2)C)[N+](=O)[O-])OC3=C(C=CC(=C3)C)[N+](=O)[O-] |
Product Overview
Tris(5-methyl-2-nitrophenyl) phosphate (CAS 201742-26-9), with molecular formula C21H18N3O10P and molecular weight 503.07 g/mol. IUPAC: tris(5-methyl-2-nitrophenyl) phosphate.
Chemical Property Profile of Tris(5-methyl-2-nitrophenyl) phosphate
Property Insights of Tris(5-methyl-2-nitrophenyl) phosphate
The XLogP value of 5.98136 indicates that Tris(5-methyl-2-nitrophenyl) phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.18 Ų indicates high polarity, suggesting Tris(5-methyl-2-nitrophenyl) phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tris(5-methyl-2-nitrophenyl) phosphate 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 Tris(5-methyl-2-nitrophenyl) phosphate?
The CAS number of Tris(5-methyl-2-nitrophenyl) phosphate is 201742-26-9.
What is the molecular formula of Tris(5-methyl-2-nitrophenyl) phosphate?
The molecular formula of Tris(5-methyl-2-nitrophenyl) phosphate is C21H18N3O10P.
What is the molecular weight of Tris(5-methyl-2-nitrophenyl) phosphate?
The molecular weight of Tris(5-methyl-2-nitrophenyl) phosphate is 503.07 g/mol.
Where can I buy Tris(5-methyl-2-nitrophenyl) phosphate?
You can request a quote for Tris(5-methyl-2-nitrophenyl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(5-methyl-2-nitrophenyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for Tris(5-methyl-2-nitrophenyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.