1-Acetyl-2-ethylferrocene
TL;DR: 1-Acetyl-2-ethylferrocene (CAS 1316-97-8) is a chemical compound with molecular formula C14H16FeO and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-1,3-diene;1-(2-ethylcyclopenta-1,3-dien-1-yl)ethanone;iron(2+)
Also Known As: 1-Acetyl-2-ethylferrocene, EINECS 215-261-8
| Molecular Formula | C14H16FeO |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 3.57 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.05505 |
| Heavy Atoms | 16 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 1316-97-8 |
|---|---|
| SMILES | CCC1=C([CH-]C=C1)C(=O)C.[CH-]1C=CC=C1.[Fe+2] |
| InChIKey | PKMBLFDABBJSJO-UHFFFAOYSA-N |
Product Overview
1-Acetyl-2-ethylferrocene (CAS 1316-97-8), with molecular formula C14H16FeO and molecular weight 256.06 g/mol. IUPAC: cyclopenta-1,3-diene;1-(2-ethylcyclopenta-1,3-dien-1-yl)ethanone;iron(2+).
Chemical Property Profile of 1-Acetyl-2-ethylferrocene
Property Insights of 1-Acetyl-2-ethylferrocene
The XLogP value of 3.57 indicates that 1-Acetyl-2-ethylferrocene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Acetyl-2-ethylferrocene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-2-ethylferrocene has 0 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-Acetyl-2-ethylferrocene?
The CAS number of 1-Acetyl-2-ethylferrocene is 1316-97-8.
What is the molecular formula of 1-Acetyl-2-ethylferrocene?
The molecular formula of 1-Acetyl-2-ethylferrocene is C14H16FeO.
What is the molecular weight of 1-Acetyl-2-ethylferrocene?
The molecular weight of 1-Acetyl-2-ethylferrocene is 256.06 g/mol.
Where can I buy 1-Acetyl-2-ethylferrocene?
You can request a quote for 1-Acetyl-2-ethylferrocene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-2-ethylferrocene?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-2-ethylferrocene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.