2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime
TL;DR: 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime (CAS 212254-69-8) is a chemical compound with molecular formula C5H6BrN3O2 and molecular weight 218.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
Also Known As: 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime, N-[2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
| Molecular Formula | C5H6BrN3O2 |
|---|---|
| Molecular Weight | 218.96 g/mol |
| LogP | 0.95122 |
| Topological Polar Surface Area | 71.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.96434 |
| Heavy Atoms | 11 |
| Complexity | 270.44617 |
Chemical Identifiers
| CAS Number | 212254-69-8 |
|---|---|
| SMILES | CC1=NON=C1C(=NO)CBr |
Product Overview
2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime (CAS 212254-69-8), with molecular formula C5H6BrN3O2 and molecular weight 218.96 g/mol. IUPAC: N-[2-bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine.
Chemical Property Profile of 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime
Property Insights of 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime
The XLogP value of 0.95122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime. The TPSA of 71.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime. Following Lipinski's Rule of Five, 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime has 1 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 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime?
The CAS number of 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime is 212254-69-8.
What is the molecular formula of 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime?
The molecular formula of 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime is C5H6BrN3O2.
What is the molecular weight of 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime?
The molecular weight of 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime is 218.96 g/mol.
Where can I buy 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime?
You can request a quote for 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.