Dotefonium
TL;DR: Dotefonium (CAS 793604-71-4) is a chemical compound with molecular formula C20H27N2O2S+ and molecular weight 359.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-N-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide
Also Known As: Dotefonium, Dotefonium ion, Dotefonium cation, Dotefonium [WHO-DD], Dotefonii bromidum
| Molecular Formula | C20H27N2O2S+ |
|---|---|
| Molecular Weight | 359.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.17932 |
| Heavy Atoms | 25 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 793604-71-4 |
|---|---|
| SMILES | CN(CC[N+]1(CCCC1)C)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O |
| InChIKey | JTZHVSMDSHENLZ-UHFFFAOYSA-N |
Product Overview
Dotefonium (CAS 793604-71-4), with molecular formula C20H27N2O2S+ and molecular weight 359.18 g/mol. IUPAC: 2-hydroxy-N-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide.
Chemical Property Profile of Dotefonium
Property Insights of Dotefonium
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dotefonium. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dotefonium. Following Lipinski's Rule of Five, Dotefonium 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 Dotefonium?
The CAS number of Dotefonium is 793604-71-4.
What is the molecular formula of Dotefonium?
The molecular formula of Dotefonium is C20H27N2O2S+.
What is the molecular weight of Dotefonium?
The molecular weight of Dotefonium is 359.18 g/mol.
Where can I buy Dotefonium?
You can request a quote for Dotefonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dotefonium?
Yes, KEHONG BIO provides custom synthesis services for Dotefonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.