(Isopropoxymethyl)ferrocene
TL;DR: (Isopropoxymethyl)ferrocene (CAS 12300-26-4) is a chemical compound with molecular formula C14H18FeO and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-1,3-diene;iron(2+);1-(propan-2-yloxymethyl)cyclopenta-1,3-diene
Also Known As: (Isopropoxymethyl)ferrocene, 1-{4-[bis(2-chloroethyl)amino]phenyl}urea, EINECS 235-571-7
| Molecular Formula | C14H18FeO |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.73 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0707 |
| Heavy Atoms | 16 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 12300-26-4 |
|---|---|
| SMILES | CC(C)OCC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2] |
| InChIKey | XTWJFIYKOFWPLA-UHFFFAOYSA-N |
Product Overview
(Isopropoxymethyl)ferrocene (CAS 12300-26-4), with molecular formula C14H18FeO and molecular weight 258.07 g/mol. IUPAC: cyclopenta-1,3-diene;iron(2+);1-(propan-2-yloxymethyl)cyclopenta-1,3-diene.
Chemical Property Profile of (Isopropoxymethyl)ferrocene
Property Insights of (Isopropoxymethyl)ferrocene
The XLogP value of 3.73 indicates that (Isopropoxymethyl)ferrocene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, (Isopropoxymethyl)ferrocene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Isopropoxymethyl)ferrocene 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 (Isopropoxymethyl)ferrocene?
The CAS number of (Isopropoxymethyl)ferrocene is 12300-26-4.
What is the molecular formula of (Isopropoxymethyl)ferrocene?
The molecular formula of (Isopropoxymethyl)ferrocene is C14H18FeO.
What is the molecular weight of (Isopropoxymethyl)ferrocene?
The molecular weight of (Isopropoxymethyl)ferrocene is 258.07 g/mol.
Where can I buy (Isopropoxymethyl)ferrocene?
You can request a quote for (Isopropoxymethyl)ferrocene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Isopropoxymethyl)ferrocene?
Yes, KEHONG BIO provides custom synthesis services for (Isopropoxymethyl)ferrocene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.