(1S,3S)-1,2,3-trimethylcyclohexane
TL;DR: (1S,3S)-1,2,3-trimethylcyclohexane (CAS 20348-72-5) 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.
trans-(1S,3S)-1,2,3-trimethylcyclohexane
Also Known As: (1S,3S)-1,2,3-trimethylcyclohexane, 1,trans-3-Trimethylcyclohexane, 1-trans-2-cis-3-Trimethylcyclohexane, 1alpha,2beta,3beta-Trimethylcyclohexane, 1alpha,2alpha,3beta-trimethylcyclohexane
| 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 | 20348-72-5 |
|---|---|
| SMILES | C[C@H]1CCC[C@@H](C1C)C |
| InChIKey | DQTVJLHNWPRPPH-YUMQZZPRSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1S,3S)-1,2,3-trimethylcyclohexane (CAS 20348-72-5), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: trans-(1S,3S)-1,2,3-trimethylcyclohexane.
Chemical Property Profile of (1S,3S)-1,2,3-trimethylcyclohexane
Property Insights of (1S,3S)-1,2,3-trimethylcyclohexane
The XLogP value of 4.0 indicates that (1S,3S)-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, (1S,3S)-1,2,3-trimethylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,3S)-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 (1S,3S)-1,2,3-trimethylcyclohexane?
The CAS number of (1S,3S)-1,2,3-trimethylcyclohexane is 20348-72-5.
What is the molecular formula of (1S,3S)-1,2,3-trimethylcyclohexane?
The molecular formula of (1S,3S)-1,2,3-trimethylcyclohexane is C9H18.
What is the molecular weight of (1S,3S)-1,2,3-trimethylcyclohexane?
The molecular weight of (1S,3S)-1,2,3-trimethylcyclohexane is 126.14 g/mol.
Where can I buy (1S,3S)-1,2,3-trimethylcyclohexane?
You can request a quote for (1S,3S)-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 (1S,3S)-1,2,3-trimethylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for (1S,3S)-1,2,3-trimethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.