1,1''-Isopropylidenediferrocene
TL;DR: 1,1''-Isopropylidenediferrocene (CAS 12609-95-9) is a chemical compound with molecular formula C23H24Fe2 and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(cyclopenta-1,3-diene);1-(1-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;bis(iron(2+))
Also Known As: 1,1''-Isopropylidenediferrocene, cyclopenta-1,3-diene;1-(1-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;iron(2+), 235-719-0, EINECS 235-719-0, RefChem:408877
| Molecular Formula | C23H24Fe2 |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 6.28 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.05768 |
| Heavy Atoms | 25 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 12609-95-9 |
|---|---|
| SMILES | CC(CC1=CC=C[CH-]1)C2=CC=C[CH-]2.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].[Fe+2] |
| InChIKey | NOIFRTILOKCQBR-UHFFFAOYSA-N |
Product Overview
1,1''-Isopropylidenediferrocene (CAS 12609-95-9), with molecular formula C23H24Fe2 and molecular weight 412.06 g/mol. IUPAC: bis(cyclopenta-1,3-diene);1-(1-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;bis(iron(2+)).
Chemical Property Profile of 1,1''-Isopropylidenediferrocene
Property Insights of 1,1''-Isopropylidenediferrocene
The XLogP value of 6.28 indicates that 1,1''-Isopropylidenediferrocene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1''-Isopropylidenediferrocene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1''-Isopropylidenediferrocene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1''-Isopropylidenediferrocene?
The CAS number of 1,1''-Isopropylidenediferrocene is 12609-95-9.
What is the molecular formula of 1,1''-Isopropylidenediferrocene?
The molecular formula of 1,1''-Isopropylidenediferrocene is C23H24Fe2.
What is the molecular weight of 1,1''-Isopropylidenediferrocene?
The molecular weight of 1,1''-Isopropylidenediferrocene is 412.06 g/mol.
Where can I buy 1,1''-Isopropylidenediferrocene?
You can request a quote for 1,1''-Isopropylidenediferrocene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1''-Isopropylidenediferrocene?
Yes, KEHONG BIO provides custom synthesis services for 1,1''-Isopropylidenediferrocene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.