![1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE structure](/static/products/646/646497-36-1.png)
1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE
TL;DR: 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE (CAS 646497-36-1) is a chemical compound with molecular formula C22H22BrClN4O and molecular weight 472.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-1-yl]methyl]benzonitrile bromide
Also Known As: 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE, 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-cyanobenzyl)hexahydropyridinium bromide, 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(4-cyanophenyl)methyl]piperidin-1-ium bromide, 4-[[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-1-yl]methyl]benzonitrile bromide
| Molecular Formula | C22H22BrClN4O |
|---|---|
| Molecular Weight | 472.07 g/mol |
| LogP | 1.96658 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.06656 |
| Heavy Atoms | 29 |
| Complexity | 973.29694 |
Chemical Identifiers
| CAS Number | 646497-36-1 |
|---|---|
| SMILES | C1CC[N+](CC1)(CC2=CC=C(C=C2)C#N)CC3=NC(=NO3)C4=CC=C(C=C4)Cl.[Br-] |
Product Overview
1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE (CAS 646497-36-1), with molecular formula C22H22BrClN4O and molecular weight 472.07 g/mol. IUPAC: 4-[[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-1-yl]methyl]benzonitrile bromide.
Chemical Property Profile of 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE
Property Insights of 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE
The XLogP value of 1.96658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE. Following Lipinski's Rule of Five, 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE has 0 hydrogen bond donor(s) and 4 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-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE?
The CAS number of 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE is 646497-36-1.
What is the molecular formula of 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE?
The molecular formula of 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE is C22H22BrClN4O.
What is the molecular weight of 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE?
The molecular weight of 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE is 472.07 g/mol.
Where can I buy 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE?
You can request a quote for 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE?
Yes, KEHONG BIO provides custom synthesis services for 1-([3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL)-1-(4-CYANOBENZYL)HEXAHYDROPYRIDINIUMBROMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.