Ethenothiamin
TL;DR: Ethenothiamin (CAS 74636-68-3) is a chemical compound with molecular formula C14H17BrN4OS and molecular weight 368.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methyl-3-[(5-methylimidazo[1,2-c]pyrimidin-8-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol bromide
Also Known As: Ethenothiamin, N-((5-Methylimidazo(1,2-c)pyrimidin-8-yl)methyl)-4-methyl-5-(2-hydroxyethyl)thiazolium bromide, Thiazolium,5-(2-hydroxyethyl)-4-methyl-3-[(5-methylimidazo[1,2-c]pyrimidin-8-yl)methyl]-,bromide (1:1), Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-((5-methylimidazo(1,2-c)pyrimidin-8-yl)methyl)-, bromide, 2-[4-methyl-3-[(5-methylimidazo[1,2-c]pyrimidin-8-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol bromide
| Molecular Formula | C14H17BrN4OS |
|---|---|
| Molecular Weight | 368.03 g/mol |
| LogP | -1.71776 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.03064 |
| Heavy Atoms | 21 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 74636-68-3 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N3C2=NC=C3)C)CCO.[Br-] |
| InChIKey | MNKHQVZADPWXBC-UHFFFAOYSA-M |
Product Overview
Ethenothiamin (CAS 74636-68-3), with molecular formula C14H17BrN4OS and molecular weight 368.03 g/mol. IUPAC: 2-[4-methyl-3-[(5-methylimidazo[1,2-c]pyrimidin-8-yl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol bromide.
Chemical Property Profile of Ethenothiamin
Property Insights of Ethenothiamin
The XLogP value of -1.71776 indicates that Ethenothiamin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethenothiamin. Following Lipinski's Rule of Five, Ethenothiamin has 1 hydrogen bond donor(s) and 5 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 Ethenothiamin?
The CAS number of Ethenothiamin is 74636-68-3.
What is the molecular formula of Ethenothiamin?
The molecular formula of Ethenothiamin is C14H17BrN4OS.
What is the molecular weight of Ethenothiamin?
The molecular weight of Ethenothiamin is 368.03 g/mol.
Where can I buy Ethenothiamin?
You can request a quote for Ethenothiamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethenothiamin?
Yes, KEHONG BIO provides custom synthesis services for Ethenothiamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.