Methyl thihexinolium
TL;DR: Methyl thihexinolium (CAS 114740-90-8) is a chemical compound with molecular formula C18H26NOS2+ and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[hydroxy(dithiophen-2-yl)methyl]cyclohexyl]-trimethylazanium
Also Known As: Methyl thihexinolium, Thihexinol, Methyl thihexinolium ion, Methyl thihexinolium cation, (4-(Hydroxydi-2-thienylmethyl)cyclohexyl)trimethylammonium
| Molecular Formula | C18H26NOS2+ |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.14557 |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 114740-90-8 |
|---|---|
| SMILES | C[N+](C)(C)C1CCC(CC1)C(C2=CC=CS2)(C3=CC=CS3)O |
| InChIKey | VROKFRFJNZCFMH-UHFFFAOYSA-N |
Product Overview
Methyl thihexinolium (CAS 114740-90-8), with molecular formula C18H26NOS2+ and molecular weight 336.15 g/mol. IUPAC: [4-[hydroxy(dithiophen-2-yl)methyl]cyclohexyl]-trimethylazanium.
Chemical Property Profile of Methyl thihexinolium
Property Insights of Methyl thihexinolium
The XLogP value of 3.6 indicates that Methyl thihexinolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl thihexinolium. Following Lipinski's Rule of Five, Methyl thihexinolium has 1 hydrogen bond donor(s) and 3 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 Methyl thihexinolium?
The CAS number of Methyl thihexinolium is 114740-90-8.
What is the molecular formula of Methyl thihexinolium?
The molecular formula of Methyl thihexinolium is C18H26NOS2+.
What is the molecular weight of Methyl thihexinolium?
The molecular weight of Methyl thihexinolium is 336.15 g/mol.
Where can I buy Methyl thihexinolium?
You can request a quote for Methyl thihexinolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl thihexinolium?
Yes, KEHONG BIO provides custom synthesis services for Methyl thihexinolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.