1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride
TL;DR: 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride (CAS 218157-29-0) is a chemical compound with molecular formula C14H11ClN4O3 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride
Also Known As: 1-{[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridinium chloride, 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride, 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-iumchloride, 1-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine Chloride, 1-{[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridin-1-ium chloride
| Molecular Formula | C14H11ClN4O3 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | -1.0154 |
| Topological Polar Surface Area | 85.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.05197 |
| Heavy Atoms | 22 |
| Complexity | 776.5238 |
Chemical Identifiers
| CAS Number | 218157-29-0 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-].[Cl-] |
Product Overview
1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride (CAS 218157-29-0), with molecular formula C14H11ClN4O3 and molecular weight 318.05 g/mol. IUPAC: 3-(3-nitrophenyl)-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride.
Chemical Property Profile of 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride
Property Insights of 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride
The XLogP value of -1.0154 indicates that 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride. Following Lipinski's Rule of Five, 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride has 0 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 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride?
The CAS number of 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride is 218157-29-0.
What is the molecular formula of 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride?
The molecular formula of 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride is C14H11ClN4O3.
What is the molecular weight of 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride?
The molecular weight of 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride is 318.05 g/mol.
Where can I buy 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride?
You can request a quote for 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-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 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-((3-(3-Nitrophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyridin-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.