Dotefonium Bromide
TL;DR: Dotefonium Bromide (CAS 26058-50-4) is a chemical compound with molecular formula C20H27BrN2O2S and molecular weight 438.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Dotefonium Bromide
2-hydroxy-N-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide bromide
Also Known As: Dotefonium Bromide, Dotefonium, Dotefonii bromidum, Bromuro de dotefonio, Bromure de dotefonium
| Molecular Formula | C20H27BrN2O2S |
|---|---|
| Molecular Weight | 438.10 g/mol |
| LogP | -0.31 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.09766 |
| Heavy Atoms | 26 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 26058-50-4 |
|---|---|
| SMILES | CN(CC[N+]1(CCCC1)C)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-] |
| InChIKey | UAZAHFDNEPPZHN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dotefonium Bromide (CAS 26058-50-4), with molecular formula C20H27BrN2O2S and molecular weight 438.10 g/mol. IUPAC: 2-hydroxy-N-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide bromide.
Chemical Property Profile of Dotefonium Bromide
Property Insights of Dotefonium Bromide
The XLogP value of -0.31 indicates that Dotefonium Bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dotefonium Bromide. Following Lipinski's Rule of Five, Dotefonium Bromide 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 Dotefonium Bromide?
The CAS number of Dotefonium Bromide is 26058-50-4.
What is the molecular formula of Dotefonium Bromide?
The molecular formula of Dotefonium Bromide is C20H27BrN2O2S.
What is the molecular weight of Dotefonium Bromide?
The molecular weight of Dotefonium Bromide is 438.10 g/mol.
Where can I buy Dotefonium Bromide?
You can request a quote for Dotefonium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dotefonium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Dotefonium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.