Trethinium
TL;DR: Trethinium (CAS 46180-15-8) is a chemical compound with molecular formula C12H18N+ and molecular weight 176.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium
Also Known As: Trethinium, Trethinium ion, Trethinium cation, Isoquinolinium, 2-ethyl-1,2,3,4-tetrahydro-2-methyl-, 2-ethyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium
| Molecular Formula | C12H18N+ |
|---|---|
| Molecular Weight | 176.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.14392 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 46180-15-8 |
|---|---|
| SMILES | CC[N+]1(CCC2=CC=CC=C2C1)C |
| InChIKey | KTYUMBVKMXGUNR-UHFFFAOYSA-N |
Product Overview
Trethinium (CAS 46180-15-8), with molecular formula C12H18N+ and molecular weight 176.14 g/mol. IUPAC: 2-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium.
Chemical Property Profile of Trethinium
Property Insights of Trethinium
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trethinium. With a topological polar surface area (TPSA) of 0.0 Ų, Trethinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trethinium 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 Trethinium?
The CAS number of Trethinium is 46180-15-8.
What is the molecular formula of Trethinium?
The molecular formula of Trethinium is C12H18N+.
What is the molecular weight of Trethinium?
The molecular weight of Trethinium is 176.14 g/mol.
Where can I buy Trethinium?
You can request a quote for Trethinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trethinium?
Yes, KEHONG BIO provides custom synthesis services for Trethinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.