二茂铁
TL;DR: 二茂铁 (CAS 102-54-5) is a chemical compound with molecular formula C10H10Fe and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二茂铁
bis(cyclopenta-1,3-diene);iron(2+)
Also Known As: FERROCENE, Ferrotsen, Catane, Dicyclopentadienyl iron, Ferroceno
| Molecular Formula | C10H10Fe |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 2.81 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.01318 |
| Heavy Atoms | 11 |
| Complexity | 11.0 |
Chemical Identifiers
| CAS Number | 102-54-5 |
|---|---|
| SMILES | [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2] |
| InChIKey | KTWOOEGAPBSYNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二茂铁 (CAS 102-54-5), with molecular formula C10H10Fe and molecular weight 186.01 g/mol. IUPAC: bis(cyclopenta-1,3-diene);iron(2+).
Chemical Property Profile of 二茂铁
Property Insights of 二茂铁
The XLogP value of 2.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二茂铁. With a topological polar surface area (TPSA) of 0.0 Ų, 二茂铁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 二茂铁?
The CAS number of 二茂铁 is 102-54-5.
What is the molecular formula of 二茂铁?
The molecular formula of 二茂铁 is C10H10Fe.
What is the molecular weight of 二茂铁?
The molecular weight of 二茂铁 is 186.01 g/mol.
Where can I buy 二茂铁?
You can request a quote for 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 二茂铁?
Yes, KEHONG BIO provides custom synthesis services for 二茂铁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.