1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime
TL;DR: 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime (CAS 328023-95-6) is a chemical compound with molecular formula C16H14BrNO2 and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-1-(4-methylphenyl)ethylideneamino] 2-bromobenzoate
Also Known As: BAS 00295559, 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime, [(Z)-1-(4-methylphenyl)ethylideneamino] 2-bromobenzoate, (1Z)-2-(4-methylphenyl)-1-azaprop-1-enyl 2-bromobenzoate, (2-bromophenyl)({[(1Z)-1-(4-methylphenyl)ethylidene]amino}oxy)methanone
| Molecular Formula | C16H14BrNO2 |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 4.33852 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.02078 |
| Heavy Atoms | 20 |
| Complexity | 647.7814 |
Chemical Identifiers
| CAS Number | 328023-95-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=N\OC(=O)C2=CC=CC=C2Br)/C |
Product Overview
1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime (CAS 328023-95-6), with molecular formula C16H14BrNO2 and molecular weight 331.02 g/mol. IUPAC: [(Z)-1-(4-methylphenyl)ethylideneamino] 2-bromobenzoate.
Chemical Property Profile of 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime
Property Insights of 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime
The XLogP value of 4.33852 indicates that 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime has 0 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-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime?
The CAS number of 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime is 328023-95-6.
What is the molecular formula of 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime?
The molecular formula of 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime is C16H14BrNO2.
What is the molecular weight of 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime?
The molecular weight of 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime is 331.02 g/mol.
Where can I buy 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime?
You can request a quote for 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)ethanone O-(2-bromobenzoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.