Neopentylferrocene
TL;DR: Neopentylferrocene (CAS 1277-58-3) is a chemical compound with molecular formula C15H20Fe and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-1,3-diene;1-(2,2-dimethylpropyl)cyclopenta-1,3-diene;iron(2+)
Also Known As: Neopentylferrocene, EINECS 215-062-6
| Molecular Formula | C15H20Fe |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.09143 |
| Heavy Atoms | 16 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 1277-58-3 |
|---|---|
| SMILES | CC(C)(C)CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2] |
| InChIKey | RTDZNTMXGMLFBW-UHFFFAOYSA-N |
Product Overview
Neopentylferrocene (CAS 1277-58-3), with molecular formula C15H20Fe and molecular weight 256.09 g/mol. IUPAC: cyclopenta-1,3-diene;1-(2,2-dimethylpropyl)cyclopenta-1,3-diene;iron(2+).
Chemical Property Profile of Neopentylferrocene
Property Insights of Neopentylferrocene
The XLogP value of 4.4 indicates that Neopentylferrocene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Neopentylferrocene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentylferrocene 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 Neopentylferrocene?
The CAS number of Neopentylferrocene is 1277-58-3.
What is the molecular formula of Neopentylferrocene?
The molecular formula of Neopentylferrocene is C15H20Fe.
What is the molecular weight of Neopentylferrocene?
The molecular weight of Neopentylferrocene is 256.09 g/mol.
Where can I buy Neopentylferrocene?
You can request a quote for Neopentylferrocene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentylferrocene?
Yes, KEHONG BIO provides custom synthesis services for Neopentylferrocene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.