Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate
TL;DR: Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate (CAS 70624-16-7) 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(3-methyl-5-nitrophenyl) phosphate
Also Known As: tris(3-methyl-5-nitrophenyl) phosphate, Phenol, 3-methyl-5-nitro-, phosphate (3:1) (ester), Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate, Phosphoric acid, tris(3-methyl-5-nitrophenyl)ester, Phosphoric acid tris(3-methyl-5-nitrophenyl) 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 | 70624-16-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OP(=O)(OC2=CC(=CC(=C2)[N+](=O)[O-])C)OC3=CC(=CC(=C3)[N+](=O)[O-])C)[N+](=O)[O-] |
| InChIKey | NYUYNOJFDIQXGE-UHFFFAOYSA-N |
Product Overview
Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate (CAS 70624-16-7), with molecular formula C21H18N3O10P and molecular weight 503.07 g/mol. IUPAC: tris(3-methyl-5-nitrophenyl) phosphate.
Chemical Property Profile of Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate
Property Insights of Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate
The XLogP value of 5.5 indicates that Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.0 Ų indicates high polarity, suggesting Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, 3-methyl-5-nitro-, 1,1',1''-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 Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate?
The CAS number of Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate is 70624-16-7.
What is the molecular formula of Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate?
The molecular formula of Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate is C21H18N3O10P.
What is the molecular weight of Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate?
The molecular weight of Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate is 503.07 g/mol.
Where can I buy Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate?
You can request a quote for Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-methyl-5-nitro-, 1,1',1''-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.