1,2,4-Trimethylenecyclohexane
TL;DR: 1,2,4-Trimethylenecyclohexane (CAS 14296-81-2) is a chemical compound with molecular formula C9H12 and molecular weight 120.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trimethylidenecyclohexane
Also Known As: 1,2,4-trimethylidenecyclohexane, 1,2,4-Trimethylenecyclohexane, Tripropylphosphine, 1,2,4-Tris(methylene)cyclohexane, 1,2,4-Trimethylcyclohexane
| Molecular Formula | C9H12 |
|---|---|
| Molecular Weight | 120.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.0939 |
| Heavy Atoms | 9 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 14296-81-2 |
|---|---|
| SMILES | C=C1CCC(=C)C(=C)C1 |
| InChIKey | AMBNQWVPTPHADI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Trimethylenecyclohexane (CAS 14296-81-2), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: 1,2,4-trimethylidenecyclohexane.
Chemical Property Profile of 1,2,4-Trimethylenecyclohexane
Property Insights of 1,2,4-Trimethylenecyclohexane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Trimethylenecyclohexane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,4-Trimethylenecyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trimethylenecyclohexane has 0 hydrogen bond donor(s) and 0 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 1,2,4-Trimethylenecyclohexane?
The CAS number of 1,2,4-Trimethylenecyclohexane is 14296-81-2.
What is the molecular formula of 1,2,4-Trimethylenecyclohexane?
The molecular formula of 1,2,4-Trimethylenecyclohexane is C9H12.
What is the molecular weight of 1,2,4-Trimethylenecyclohexane?
The molecular weight of 1,2,4-Trimethylenecyclohexane is 120.09 g/mol.
Where can I buy 1,2,4-Trimethylenecyclohexane?
You can request a quote for 1,2,4-Trimethylenecyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trimethylenecyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trimethylenecyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.