Ferrocenium picrate
TL;DR: Ferrocenium picrate (CAS 11077-21-7) is a chemical compound with molecular formula C16H12FeN3O7-3 and molecular weight 414.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(cyclopenta-1,3-diene);iron;2,4,6-trinitrophenolate
Also Known As: Ferrocenium picrate, Ferrocenium, picrate, cyclopentane; iron; picric acid, Ferrocenium, salt with 2,4,6-trinitrophenol (1:1), Bis(beta5-2,4-cyclopentadiene-1-yl)ferrocenium picrate
| Molecular Formula | C16H12FeN3O7-3 |
|---|---|
| Molecular Weight | 414.00 g/mol |
| LogP | 3.2933 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 414.00247 |
| Heavy Atoms | 27 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 11077-21-7 |
|---|---|
| SMILES | [CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Fe] |
| InChIKey | WTZXGPNJQZACFU-UHFFFAOYSA-M |
Product Overview
Ferrocenium picrate (CAS 11077-21-7), with molecular formula C16H12FeN3O7-3 and molecular weight 414.00 g/mol. IUPAC: bis(cyclopenta-1,3-diene);iron;2,4,6-trinitrophenolate.
Chemical Property Profile of Ferrocenium picrate
Property Insights of Ferrocenium picrate
The XLogP value of 3.2933 indicates that Ferrocenium picrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting Ferrocenium picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ferrocenium picrate 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 Ferrocenium picrate?
The CAS number of Ferrocenium picrate is 11077-21-7.
What is the molecular formula of Ferrocenium picrate?
The molecular formula of Ferrocenium picrate is C16H12FeN3O7-3.
What is the molecular weight of Ferrocenium picrate?
The molecular weight of Ferrocenium picrate is 414.00 g/mol.
Where can I buy Ferrocenium picrate?
You can request a quote for Ferrocenium picrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ferrocenium picrate?
Yes, KEHONG BIO provides custom synthesis services for Ferrocenium picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.