2-Ethylidenecyclohexan-1-one
TL;DR: 2-Ethylidenecyclohexan-1-one (CAS 7417-55-2) is a chemical compound with molecular formula CC=C1CCCCC1=O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylidenecyclohexan-1-one
Also Known As: 2-Ethylidenecyclohexanone, Cyclohexanone,2-ethenyl-, 2-ethylidenecyclohexan-1-one, 2-Ethylidenecyclohexanone (cis,trans), Cyclohexanone, 2-ethylidene-, (E)-
| Molecular Formula | CC=C1CCCCC1=O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 7417-55-2 |
|---|---|
| SMILES | CC=C1CCCCC1=O |
| InChIKey | YPRIHWWNQRSAQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylidenecyclohexan-1-one (CAS 7417-55-2), with molecular formula CC=C1CCCCC1=O and molecular weight 124.09 g/mol. IUPAC: 2-ethylidenecyclohexan-1-one.
Chemical Property Profile of 2-Ethylidenecyclohexan-1-one
Property Insights of 2-Ethylidenecyclohexan-1-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylidenecyclohexan-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Ethylidenecyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylidenecyclohexan-1-one has 0 hydrogen bond donor(s) and 1 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 2-Ethylidenecyclohexan-1-one?
The CAS number of 2-Ethylidenecyclohexan-1-one is 7417-55-2.
What is the molecular formula of 2-Ethylidenecyclohexan-1-one?
The molecular formula of 2-Ethylidenecyclohexan-1-one is CC=C1CCCCC1=O.
What is the molecular weight of 2-Ethylidenecyclohexan-1-one?
The molecular weight of 2-Ethylidenecyclohexan-1-one is 124.09 g/mol.
Where can I buy 2-Ethylidenecyclohexan-1-one?
You can request a quote for 2-Ethylidenecyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylidenecyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylidenecyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.