Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride
TL;DR: Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride (CAS 23288-01-9) is a chemical compound with molecular formula C9H9ClN2O and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride
Also Known As: 1-Methyl-4-(5-isoxazolyl)pyridinium chloride, Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride, 1-methyl-4-(1,2-oxazol-5-yl)pyridinium chloride, 5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride, 5-(1-Methylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium chloride
| Molecular Formula | C9H9ClN2O |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | -1.8299 |
| Topological Polar Surface Area | 29.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.04034 |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 23288-01-9 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)C2=CC=NO2.[Cl-] |
| InChIKey | NILFJBVBVUSIFG-UHFFFAOYSA-M |
Product Overview
Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride (CAS 23288-01-9), with molecular formula C9H9ClN2O and molecular weight 196.04 g/mol. IUPAC: 5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole chloride.
Chemical Property Profile of Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride
Property Insights of Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride
The XLogP value of -1.8299 indicates that Pyridinium, 1-methyl-4-(5-isoxazolyl)-, 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, Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1-methyl-4-(5-isoxazolyl)-, 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 Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride?
The CAS number of Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride is 23288-01-9.
What is the molecular formula of Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride?
The molecular formula of Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride is C9H9ClN2O.
What is the molecular weight of Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride?
The molecular weight of Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride is 196.04 g/mol.
Where can I buy Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride?
You can request a quote for Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1-methyl-4-(5-isoxazolyl)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.