5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride
TL;DR: 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride (CAS 18704-50-2) is a chemical compound with molecular formula C10H11ClN2O and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride
Also Known As: 1-Methyl-4-(5-methyl-3-isoxazolyl)pyridinium chloride, Pyridinium, 1-methyl-4-(5-methyl-3-isoxazolyl)-, chloride, 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride, 5-methyl-3-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride, RefChem:1073104
| Molecular Formula | C10H11ClN2O |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | -1.52148 |
| Topological Polar Surface Area | 29.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.05598 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 18704-50-2 |
|---|---|
| SMILES | CC1=CC(=NO1)C2=CC=[N+](C=C2)C.[Cl-] |
| InChIKey | HBSFDLBBQBDFSK-UHFFFAOYSA-M |
Product Overview
5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride (CAS 18704-50-2), with molecular formula C10H11ClN2O and molecular weight 210.06 g/mol. IUPAC: 5-methyl-3-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride.
Chemical Property Profile of 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride
Property Insights of 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride
The XLogP value of -1.52148 indicates that 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.9 Ų, 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride 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 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride?
The CAS number of 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride is 18704-50-2.
What is the molecular formula of 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride?
The molecular formula of 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride is C10H11ClN2O.
What is the molecular weight of 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride?
The molecular weight of 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride is 210.06 g/mol.
Where can I buy 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride?
You can request a quote for 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.