Phenol, p-nitro-, aluminum salt
TL;DR: Phenol, p-nitro-, aluminum salt (CAS 64047-79-6) is a chemical compound with molecular formula C18H12AlN3O9 and molecular weight 441.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aluminum tris(4-nitrophenolate)
Also Known As: p-Nitrophenol aluminum salt, aluminum 4-nitrophenolate, Phenol, p-nitro-, aluminum salt, aluminum tris(4-nitrophenolate), RefChem:1094945
| Molecular Formula | C18H12AlN3O9 |
|---|---|
| Molecular Weight | 441.04 g/mol |
| LogP | 1.62 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 441.03888 |
| Heavy Atoms | 31 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 64047-79-6 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])[O-].C1=CC(=CC=C1[N+](=O)[O-])[O-].C1=CC(=CC=C1[N+](=O)[O-])[O-].[Al+3] |
| InChIKey | ZHRQQOTZLGOJJP-UHFFFAOYSA-K |
Product Overview
Phenol, p-nitro-, aluminum salt (CAS 64047-79-6), with molecular formula C18H12AlN3O9 and molecular weight 441.04 g/mol. IUPAC: aluminum tris(4-nitrophenolate).
Chemical Property Profile of Phenol, p-nitro-, aluminum salt
Property Insights of Phenol, p-nitro-, aluminum salt
The XLogP value of 1.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, p-nitro-, aluminum salt. The TPSA of 207.0 Ų indicates high polarity, suggesting Phenol, p-nitro-, aluminum salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, p-nitro-, aluminum salt has 0 hydrogen bond donor(s) and 9 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 Phenol, p-nitro-, aluminum salt?
The CAS number of Phenol, p-nitro-, aluminum salt is 64047-79-6.
What is the molecular formula of Phenol, p-nitro-, aluminum salt?
The molecular formula of Phenol, p-nitro-, aluminum salt is C18H12AlN3O9.
What is the molecular weight of Phenol, p-nitro-, aluminum salt?
The molecular weight of Phenol, p-nitro-, aluminum salt is 441.04 g/mol.
Where can I buy Phenol, p-nitro-, aluminum salt?
You can request a quote for Phenol, p-nitro-, aluminum salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, p-nitro-, aluminum salt?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-nitro-, aluminum salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.