![1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride structure](/static/products/287/287176-77-6.png)
1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride
TL;DR: 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride (CAS 287176-77-6) is a chemical compound with molecular formula C18H13Cl3N4O2 and molecular weight 422.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride
Also Known As: 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride, 1-((3-[3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]-1,2,4-OXADIAZOL-5-YL)METHYL)PYRIDINIUMCHLORIDE, 1-({3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridin-1-ium chloride, 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride
| Molecular Formula | C18H13Cl3N4O2 |
|---|---|
| Molecular Weight | 422.01 g/mol |
| LogP | 1.34662 |
| Topological Polar Surface Area | 68.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.0104 |
| Heavy Atoms | 27 |
| Complexity | 1043.4213 |
Chemical Identifiers
| CAS Number | 287176-77-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C3=NOC(=N3)C[N+]4=CC=CC=C4.[Cl-] |
Product Overview
1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride (CAS 287176-77-6), with molecular formula C18H13Cl3N4O2 and molecular weight 422.01 g/mol. IUPAC: 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride.
Chemical Property Profile of 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride
Property Insights of 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride
The XLogP value of 1.34662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride. The TPSA of 68.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride. Following Lipinski's Rule of Five, 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium 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-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride?
The CAS number of 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride is 287176-77-6.
What is the molecular formula of 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride?
The molecular formula of 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride is C18H13Cl3N4O2.
What is the molecular weight of 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride?
The molecular weight of 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride is 422.01 g/mol.
Where can I buy 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride?
You can request a quote for 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium 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-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-({3-[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-1,2,4-oxadiazol-5-yl}methyl)pyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.