苯甲酰基二茂铁
TL;DR: 苯甲酰基二茂铁 (CAS 1272-44-2) is a chemical compound with molecular formula C17H14FeO and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酰基二茂铁
cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(phenyl)methanone;iron(2+)
Also Known As: Benzoylferrocene, Ferrecenophenone, Benzoylferrocen, Monobenzoylferrocene, Benzoyl ferrocene
| Molecular Formula | C17H14FeO |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 4.04 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.0394 |
| Heavy Atoms | 19 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 1272-44-2 |
|---|---|
| SMILES | [CH-]1C=CC=C1.[CH-]1C=CC=C1C(=O)C2=CC=CC=C2.[Fe+2] |
| InChIKey | PWUMGRPMAGSFJU-UHFFFAOYSA-N |
Product Overview
苯甲酰基二茂铁 (CAS 1272-44-2), with molecular formula C17H14FeO and molecular weight 290.04 g/mol. IUPAC: cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(phenyl)methanone;iron(2+).
Chemical Property Profile of 苯甲酰基二茂铁
Property Insights of 苯甲酰基二茂铁
The XLogP value of 4.04 indicates that 苯甲酰基二茂铁 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 苯甲酰基二茂铁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酰基二茂铁 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 苯甲酰基二茂铁?
The CAS number of 苯甲酰基二茂铁 is 1272-44-2.
What is the molecular formula of 苯甲酰基二茂铁?
The molecular formula of 苯甲酰基二茂铁 is C17H14FeO.
What is the molecular weight of 苯甲酰基二茂铁?
The molecular weight of 苯甲酰基二茂铁 is 290.04 g/mol.
Where can I buy 苯甲酰基二茂铁?
You can request a quote for 苯甲酰基二茂铁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酰基二茂铁?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酰基二茂铁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.