1,2,3-Trimethylcyclohexane
TL;DR: 1,2,3-Trimethylcyclohexane (CAS 1678-97-3) is a chemical compound with molecular formula C9H18 and molecular weight 126.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trimethylcyclohexane
Also Known As: 1,2,3-TRIMETHYLCYCLOHEXANE, Cyclohexane, 1,2,3-trimethyl-, Hexahydrohemimellitene, 123-Trimethylcyclohexane, 1,2,3-TRIMETHYLBENZENE
| Molecular Formula | C9H18 |
|---|---|
| Molecular Weight | 126.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.140854 |
| Heavy Atoms | 9 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 1678-97-3 |
|---|---|
| SMILES | CC1CCCC(C1C)C |
| InChIKey | DQTVJLHNWPRPPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Trimethylcyclohexane (CAS 1678-97-3), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: 1,2,3-trimethylcyclohexane.
Chemical Property Profile of 1,2,3-Trimethylcyclohexane
Property Insights of 1,2,3-Trimethylcyclohexane
The XLogP value of 4.0 indicates that 1,2,3-Trimethylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3-Trimethylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trimethylcyclohexane 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 1,2,3-Trimethylcyclohexane?
The CAS number of 1,2,3-Trimethylcyclohexane is 1678-97-3.
What is the molecular formula of 1,2,3-Trimethylcyclohexane?
The molecular formula of 1,2,3-Trimethylcyclohexane is C9H18.
What is the molecular weight of 1,2,3-Trimethylcyclohexane?
The molecular weight of 1,2,3-Trimethylcyclohexane is 126.14 g/mol.
Where can I buy 1,2,3-Trimethylcyclohexane?
You can request a quote for 1,2,3-Trimethylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trimethylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trimethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.