N-phenacyl-4,5-dimethylthiazolium bromide
TL;DR: N-phenacyl-4,5-dimethylthiazolium bromide (CAS 6090-50-2) is a chemical compound with molecular formula C13H14BrNOS and molecular weight 311.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone bromide
Also Known As: Alagebrium bromide, DMPTB cpd, Alagebrium (bromide), ALT 711, n-phenacyl-4,5-dimethylthiazolium bromide
| Molecular Formula | C13H14BrNOS |
|---|---|
| Molecular Weight | 311.00 g/mol |
| LogP | -0.46066 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.99796 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 6090-50-2 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)C.[Br-] |
| InChIKey | NWYBJPXXICNVLX-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-phenacyl-4,5-dimethylthiazolium bromide (CAS 6090-50-2), with molecular formula C13H14BrNOS and molecular weight 311.00 g/mol. IUPAC: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone bromide.
Chemical Property Profile of N-phenacyl-4,5-dimethylthiazolium bromide
Property Insights of N-phenacyl-4,5-dimethylthiazolium bromide
The XLogP value of -0.46066 indicates that N-phenacyl-4,5-dimethylthiazolium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.2 Ų, N-phenacyl-4,5-dimethylthiazolium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenacyl-4,5-dimethylthiazolium bromide has 0 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 N-phenacyl-4,5-dimethylthiazolium bromide?
The CAS number of N-phenacyl-4,5-dimethylthiazolium bromide is 6090-50-2.
What is the molecular formula of N-phenacyl-4,5-dimethylthiazolium bromide?
The molecular formula of N-phenacyl-4,5-dimethylthiazolium bromide is C13H14BrNOS.
What is the molecular weight of N-phenacyl-4,5-dimethylthiazolium bromide?
The molecular weight of N-phenacyl-4,5-dimethylthiazolium bromide is 311.00 g/mol.
Where can I buy N-phenacyl-4,5-dimethylthiazolium bromide?
You can request a quote for N-phenacyl-4,5-dimethylthiazolium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenacyl-4,5-dimethylthiazolium bromide?
Yes, KEHONG BIO provides custom synthesis services for N-phenacyl-4,5-dimethylthiazolium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.