3-Ferrocenylpropionic acid
TL;DR: 3-Ferrocenylpropionic acid (CAS 12261-46-0) is a chemical compound with molecular formula C13H14FeO2 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-1,3-diene;3-cyclopenta-1,4-dien-1-ylpropanoic acid;iron(2+)
Also Known As: 3-Ferrocenylpropionic acid, cyclopenta-1,3-diene; 3-cyclopenta-2,4-dien-1-ylpropanoic acid; iron(2+), ferrous; cyclopenta-1,3-diene; 3-cyclopenta-1,3-dien-1-ylpropanoic acid, 1,2,3,4,5-Cyclopentanepentayl, 1-(2-carboxyethyl)-, iron salt, compd. with 1,2,3,4,5-cyclopentanepentayl (1:1)
| Molecular Formula | C13H14FeO2 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 2.8257 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0343 |
| Heavy Atoms | 16 |
| Complexity | 331.97522 |
Chemical Identifiers
| CAS Number | 12261-46-0 |
|---|---|
| SMILES | [CH-]1C=CC=C1.[CH-]1C=CC(=C1)CCC(=O)O.[Fe+2] |
Product Overview
3-Ferrocenylpropionic acid (CAS 12261-46-0), with molecular formula C13H14FeO2 and molecular weight 258.03 g/mol. IUPAC: cyclopenta-1,3-diene;3-cyclopenta-1,4-dien-1-ylpropanoic acid;iron(2+).
Chemical Property Profile of 3-Ferrocenylpropionic acid
Property Insights of 3-Ferrocenylpropionic acid
The XLogP value of 2.8257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ferrocenylpropionic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Ferrocenylpropionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ferrocenylpropionic acid has 1 hydrogen bond donor(s) and 1 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 3-Ferrocenylpropionic acid?
The CAS number of 3-Ferrocenylpropionic acid is 12261-46-0.
What is the molecular formula of 3-Ferrocenylpropionic acid?
The molecular formula of 3-Ferrocenylpropionic acid is C13H14FeO2.
What is the molecular weight of 3-Ferrocenylpropionic acid?
The molecular weight of 3-Ferrocenylpropionic acid is 258.03 g/mol.
Where can I buy 3-Ferrocenylpropionic acid?
You can request a quote for 3-Ferrocenylpropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ferrocenylpropionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ferrocenylpropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.