Thihexinol methylbromide
TL;DR: Thihexinol methylbromide (CAS 7219-91-2) is a chemical compound with molecular formula C18H26BrNOS2 and molecular weight 415.06 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 bromide
Also Known As: THIHEXINOL METHYLBROMIDE, Thihexinolonum, Methyl thihexinolium bromide, Metilbromuro de tihexinol, Methylbromure de thihexinol
| Molecular Formula | C18H26BrNOS2 |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 1.31 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.06393 |
| Heavy Atoms | 23 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 7219-91-2 |
|---|---|
| SMILES | C[N+](C)(C)C1CCC(CC1)C(C2=CC=CS2)(C3=CC=CS3)O.[Br-] |
| InChIKey | KDBBCFRGLKZRQJ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thihexinol methylbromide (CAS 7219-91-2), with molecular formula C18H26BrNOS2 and molecular weight 415.06 g/mol. IUPAC: [4-[hydroxy(dithiophen-2-yl)methyl]cyclohexyl]-trimethylazanium bromide.
Chemical Property Profile of Thihexinol methylbromide
Property Insights of Thihexinol methylbromide
The XLogP value of 1.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thihexinol methylbromide. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Thihexinol methylbromide. Following Lipinski's Rule of Five, Thihexinol methylbromide has 1 hydrogen bond donor(s) and 4 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 Thihexinol methylbromide?
The CAS number of Thihexinol methylbromide is 7219-91-2.
What is the molecular formula of Thihexinol methylbromide?
The molecular formula of Thihexinol methylbromide is C18H26BrNOS2.
What is the molecular weight of Thihexinol methylbromide?
The molecular weight of Thihexinol methylbromide is 415.06 g/mol.
Where can I buy Thihexinol methylbromide?
You can request a quote for Thihexinol methylbromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thihexinol methylbromide?
Yes, KEHONG BIO provides custom synthesis services for Thihexinol methylbromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.