乙酰二茂铁
TL;DR: 乙酰二茂铁 (CAS 1271-55-2) is a chemical compound with molecular formula C12H12FeO and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰二茂铁
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylideneethanolate;iron(2+)
Also Known As: Acetylferrocene, Ferrocene, acetyl-, Acetoferrocene, 1-Acetylferrocene, Monacetylferrocene
| Molecular Formula | C12H12FeO |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 2.15 |
| Topological Polar Surface Area | 23.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.02376 |
| Heavy Atoms | 14 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 1271-55-2 |
|---|---|
| SMILES | CC(=C1C=CC=C1)[O-].[CH-]1C=CC=C1.[Fe+2] |
| InChIKey | CBJYXYXOISWSDQ-UHFFFAOYSA-M |
Product Overview
乙酰二茂铁 (CAS 1271-55-2), with molecular formula C12H12FeO and molecular weight 228.02 g/mol. IUPAC: cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylideneethanolate;iron(2+).
Chemical Property Profile of 乙酰二茂铁
Property Insights of 乙酰二茂铁
The XLogP value of 2.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰二茂铁. With a topological polar surface area (TPSA) of 23.1 Ų, 乙酰二茂铁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酰二茂铁 has 0 hydrogen bond donor(s) and 2 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 乙酰二茂铁?
The CAS number of 乙酰二茂铁 is 1271-55-2.
What is the molecular formula of 乙酰二茂铁?
The molecular formula of 乙酰二茂铁 is C12H12FeO.
What is the molecular weight of 乙酰二茂铁?
The molecular weight of 乙酰二茂铁 is 228.02 g/mol.
Where can I buy 乙酰二茂铁?
You can request a quote for 乙酰二茂铁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰二茂铁?
Yes, KEHONG BIO provides custom synthesis services for 乙酰二茂铁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.