(1-Hydroxy-1-methylpropyl)ferrocene
TL;DR: (1-Hydroxy-1-methylpropyl)ferrocene (CAS 12289-44-0) is a chemical compound with molecular formula C14H18FeO and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylbutan-2-ol;iron(2+)
Also Known As: (1-Hydroxy-1-methylpropyl)ferrocene, cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylbutan-2-ol;iron(2+), 235-560-7, EINECS 235-560-7, RefChem:68125
| Molecular Formula | C14H18FeO |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.43 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0707 |
| Heavy Atoms | 16 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 12289-44-0 |
|---|---|
| SMILES | CCC(C)(C1=CC=C[CH-]1)O.[CH-]1C=CC=C1.[Fe+2] |
| InChIKey | OQQXRDSLJFBKIN-UHFFFAOYSA-N |
Product Overview
(1-Hydroxy-1-methylpropyl)ferrocene (CAS 12289-44-0), with molecular formula C14H18FeO and molecular weight 258.07 g/mol. IUPAC: cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylbutan-2-ol;iron(2+).
Chemical Property Profile of (1-Hydroxy-1-methylpropyl)ferrocene
Property Insights of (1-Hydroxy-1-methylpropyl)ferrocene
The XLogP value of 3.43 indicates that (1-Hydroxy-1-methylpropyl)ferrocene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, (1-Hydroxy-1-methylpropyl)ferrocene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Hydroxy-1-methylpropyl)ferrocene has 1 hydrogen bond donor(s) and 3 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 (1-Hydroxy-1-methylpropyl)ferrocene?
The CAS number of (1-Hydroxy-1-methylpropyl)ferrocene is 12289-44-0.
What is the molecular formula of (1-Hydroxy-1-methylpropyl)ferrocene?
The molecular formula of (1-Hydroxy-1-methylpropyl)ferrocene is C14H18FeO.
What is the molecular weight of (1-Hydroxy-1-methylpropyl)ferrocene?
The molecular weight of (1-Hydroxy-1-methylpropyl)ferrocene is 258.07 g/mol.
Where can I buy (1-Hydroxy-1-methylpropyl)ferrocene?
You can request a quote for (1-Hydroxy-1-methylpropyl)ferrocene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Hydroxy-1-methylpropyl)ferrocene?
Yes, KEHONG BIO provides custom synthesis services for (1-Hydroxy-1-methylpropyl)ferrocene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.