![1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide structure](/static/products/218/218456-18-9.png)
1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide
TL;DR: 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide (CAS 218456-18-9) is a chemical compound with molecular formula C18H16BrCl2N3O2 and molecular weight 454.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-5-methyl-N-(2-pyridin-1-ium-1-ylethyl)-1,2-oxazole-4-carboxamide bromide
Also Known As: 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide, 1-[2-(([3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]CARBONYL)AMINO)ETHYL]PYRIDINIUMBROMIDE, 3-(2,6-dichlorophenyl)-5-methyl-N-(2-pyridin-1-ylethyl)-1,2-oxazole-4-carboxamide Bromide, 1-(2-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}ethyl)pyridin-1-ium bromide, 3-(2,6-dichlorophenyl)-5-methyl-N-(2-pyridin-1-ium-1-ylethyl)-1,2-oxazole-4-carboxamide bromide
| Molecular Formula | C18H16BrCl2N3O2 |
|---|---|
| Molecular Weight | 454.98 g/mol |
| LogP | 0.67832 |
| Topological Polar Surface Area | 59.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.9803 |
| Heavy Atoms | 26 |
| Complexity | 880.4568 |
Chemical Identifiers
| CAS Number | 218456-18-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCC[N+]3=CC=CC=C3.[Br-] |
Product Overview
1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide (CAS 218456-18-9), with molecular formula C18H16BrCl2N3O2 and molecular weight 454.98 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-5-methyl-N-(2-pyridin-1-ium-1-ylethyl)-1,2-oxazole-4-carboxamide bromide.
Chemical Property Profile of 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide
Property Insights of 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide
The XLogP value of 0.67832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide. With a topological polar surface area (TPSA) of 59.01 Ų, 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide has 1 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 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide?
The CAS number of 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide is 218456-18-9.
What is the molecular formula of 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide?
The molecular formula of 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide is C18H16BrCl2N3O2.
What is the molecular weight of 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide?
The molecular weight of 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide is 454.98 g/mol.
Where can I buy 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide?
You can request a quote for 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)ethyl]pyridinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.