Iron(3+) tris(4-nitrophenolate)
TL;DR: Iron(3+) tris(4-nitrophenolate) (CAS 64047-80-9) is a chemical compound with molecular formula C18H12FeN3O9 and molecular weight 469.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
iron(3+);tris(4-nitrophenolate)
Also Known As: Iron tris, p-Nitrophenol iron(III) salt, iron(3+) tris(4-nitrophenolate), iron(3+); 4-nitrophenolate, Phenol, p-nitro-, iron(III) salt
| Molecular Formula | C18H12FeN3O9 |
|---|---|
| Molecular Weight | 469.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 469.99228 |
| Heavy Atoms | 31 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 64047-80-9 |
|---|---|
| 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-].[Fe+3] |
| InChIKey | DLWSTDHFOJEBPI-UHFFFAOYSA-K |
Product Overview
Iron(3+) tris(4-nitrophenolate) (CAS 64047-80-9), with molecular formula C18H12FeN3O9 and molecular weight 469.99 g/mol. IUPAC: iron(3+);tris(4-nitrophenolate).
Chemical Property Profile of Iron(3+) tris(4-nitrophenolate)
Property Insights of Iron(3+) tris(4-nitrophenolate)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iron(3+) tris(4-nitrophenolate). The TPSA of 207.0 Ų indicates high polarity, suggesting Iron(3+) tris(4-nitrophenolate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iron(3+) tris(4-nitrophenolate) 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 Iron(3+) tris(4-nitrophenolate)?
The CAS number of Iron(3+) tris(4-nitrophenolate) is 64047-80-9.
What is the molecular formula of Iron(3+) tris(4-nitrophenolate)?
The molecular formula of Iron(3+) tris(4-nitrophenolate) is C18H12FeN3O9.
What is the molecular weight of Iron(3+) tris(4-nitrophenolate)?
The molecular weight of Iron(3+) tris(4-nitrophenolate) is 469.99 g/mol.
Where can I buy Iron(3+) tris(4-nitrophenolate)?
You can request a quote for Iron(3+) tris(4-nitrophenolate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iron(3+) tris(4-nitrophenolate)?
Yes, KEHONG BIO provides custom synthesis services for Iron(3+) tris(4-nitrophenolate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.