3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide
TL;DR: 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide (CAS 23293-68-7) is a chemical compound with molecular formula C12H15BrN2O and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(1-propylpyridin-1-ium-4-yl)-1,2-oxazole bromide
Also Known As: 1-Propyl-4-(3-methyl-5-isoxazolyl)pyridinium bromide, 4-(3-methyl-1,2-oxazol-5-yl)-1-propylpyridinium bromide, Pyridinium, 1-propyl-4-(3-methyl-5-isoxazolyl)-, bromide, 4-(3-Methylisoxazol-5-yl)-1-propylpyridin-1-ium bromide, 3-methyl-5-(1-propylpyridin-1-ium-4-yl)-1,2-oxazole bromide
| Molecular Formula | C12H15BrN2O |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | -0.64848 |
| Topological Polar Surface Area | 29.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.03677 |
| Heavy Atoms | 16 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 23293-68-7 |
|---|---|
| SMILES | CCC[N+]1=CC=C(C=C1)C2=CC(=NO2)C.[Br-] |
| InChIKey | VGLKHXJQMBGCCO-UHFFFAOYSA-M |
Product Overview
3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide (CAS 23293-68-7), with molecular formula C12H15BrN2O and molecular weight 282.04 g/mol. IUPAC: 3-methyl-5-(1-propylpyridin-1-ium-4-yl)-1,2-oxazole bromide.
Chemical Property Profile of 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide
Property Insights of 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide
The XLogP value of -0.64848 indicates that 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide 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, 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium 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 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide?
The CAS number of 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide is 23293-68-7.
What is the molecular formula of 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide?
The molecular formula of 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide is C12H15BrN2O.
What is the molecular weight of 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide?
The molecular weight of 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide is 282.04 g/mol.
Where can I buy 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide?
You can request a quote for 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.