3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide
TL;DR: 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide (CAS 18704-52-4) is a chemical compound with molecular formula C12H15IN2O and molecular weight 330.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5-(1-ethylpyridin-1-ium-4-yl)-1,2-oxazole iodide
Also Known As: 8-quinolinylsulfonyl chloride, 1-Ethyl-4-(3-ethyl-5-isoxazolyl)pyridinium iodide, Pyridinium, 1-ethyl-4-(3-ethyl-5-isoxazolyl)-, iodide, 3-ethyl-5-(1-ethylpyridin-1-ium-4-yl)-1,2-oxazole iodide, 3-ethyl-5-(1-ethylpyridin-1-ium-4-yl)-1,2-oxazole,iodide
| Molecular Formula | C12H15IN2O |
|---|---|
| Molecular Weight | 330.02 g/mol |
| LogP | -0.7846 |
| Topological Polar Surface Area | 29.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.02292 |
| Heavy Atoms | 16 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 18704-52-4 |
|---|---|
| SMILES | CCC1=NOC(=C1)C2=CC=[N+](C=C2)CC.[I-] |
| InChIKey | AZKZKZZWBMNDRX-UHFFFAOYSA-M |
Product Overview
3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide (CAS 18704-52-4), with molecular formula C12H15IN2O and molecular weight 330.02 g/mol. IUPAC: 3-ethyl-5-(1-ethylpyridin-1-ium-4-yl)-1,2-oxazole iodide.
Chemical Property Profile of 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide
Property Insights of 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide
The XLogP value of -0.7846 indicates that 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide 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-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide 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-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide?
The CAS number of 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide is 18704-52-4.
What is the molecular formula of 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide?
The molecular formula of 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide is C12H15IN2O.
What is the molecular weight of 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide?
The molecular weight of 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide is 330.02 g/mol.
Where can I buy 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide?
You can request a quote for 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.