二茂铁甲酸
TL;DR: 二茂铁甲酸 (CAS 1271-42-7) is a chemical compound with molecular formula C11H10FeO2 and molecular weight 230.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二茂铁甲酸
cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carboxylic acid;iron(2+)
Also Known As: Carboxyferrocene, carboxyfer-rocene, Ferrocene, carboxy-, Ferrocenecarboxylic acid, cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carboxylic acid;iron(2+)
| Molecular Formula | C11H10FeO2 |
|---|---|
| Molecular Weight | 230.00 g/mol |
| LogP | 1.92 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.00302 |
| Heavy Atoms | 14 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 1271-42-7 |
|---|---|
| SMILES | C1C=CC=[C-]1.C1=CC([C-]=C1)C(=O)O.[Fe+2] |
| InChIKey | BXVLTNLCEUMARW-UHFFFAOYSA-N |
Product Overview
二茂铁甲酸 (CAS 1271-42-7), with molecular formula C11H10FeO2 and molecular weight 230.00 g/mol. IUPAC: cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carboxylic acid;iron(2+).
Chemical Property Profile of 二茂铁甲酸
Property Insights of 二茂铁甲酸
The XLogP value of 1.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二茂铁甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 二茂铁甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二茂铁甲酸 has 1 hydrogen bond donor(s) and 4 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 二茂铁甲酸?
The CAS number of 二茂铁甲酸 is 1271-42-7.
What is the molecular formula of 二茂铁甲酸?
The molecular formula of 二茂铁甲酸 is C11H10FeO2.
What is the molecular weight of 二茂铁甲酸?
The molecular weight of 二茂铁甲酸 is 230.00 g/mol.
Where can I buy 二茂铁甲酸?
You can request a quote for 二茂铁甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二茂铁甲酸?
Yes, KEHONG BIO provides custom synthesis services for 二茂铁甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.