Einecs 235-273-7
TL;DR: Einecs 235-273-7 (CAS 12153-89-8) is a chemical compound with molecular formula C12H14FeO and molecular weight 230.04 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-(methoxymethyl)cyclopenta-1,3-diene
Also Known As: (Methoxymethyl)ferrocene, EINECS 235-273-7
| Molecular Formula | C12H14FeO |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 2.95 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0394 |
| Heavy Atoms | 14 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 12153-89-8 |
|---|---|
| SMILES | COCC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2] |
| InChIKey | LPPAQEHQUNTQNJ-UHFFFAOYSA-N |
Product Overview
Einecs 235-273-7 (CAS 12153-89-8), with molecular formula C12H14FeO and molecular weight 230.04 g/mol. IUPAC: cyclopenta-1,3-diene;iron(2+);1-(methoxymethyl)cyclopenta-1,3-diene.
Chemical Property Profile of Einecs 235-273-7
Property Insights of Einecs 235-273-7
The XLogP value of 2.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 235-273-7. With a topological polar surface area (TPSA) of 9.2 Ų, Einecs 235-273-7 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 235-273-7 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 Einecs 235-273-7?
The CAS number of Einecs 235-273-7 is 12153-89-8.
What is the molecular formula of Einecs 235-273-7?
The molecular formula of Einecs 235-273-7 is C12H14FeO.
What is the molecular weight of Einecs 235-273-7?
The molecular weight of Einecs 235-273-7 is 230.04 g/mol.
Where can I buy Einecs 235-273-7?
You can request a quote for Einecs 235-273-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 235-273-7?
Yes, KEHONG BIO provides custom synthesis services for Einecs 235-273-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.