2-Bromo-4'-methylacetophenone
TL;DR: 2-Bromo-4'-methylacetophenone (CAS 619-41-0) is a chemical compound with molecular formula C9H9BrO and molecular weight 211.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(4-methylphenyl)ethanone
Also Known As: 2-Bromo-4'-methylacetophenone, 2-Bromo-1-(p-tolyl)ethanone, 4-Methylphenacyl bromide, 2-Bromo-1-(4-methylphenyl)ethanone, p-Methylphenacyl bromide
| Molecular Formula | C9H9BrO |
|---|---|
| Molecular Weight | 211.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.98367 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 619-41-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CBr |
| InChIKey | KRVGXFREOJHJAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4'-methylacetophenone (CAS 619-41-0), with molecular formula C9H9BrO and molecular weight 211.98 g/mol. IUPAC: 2-bromo-1-(4-methylphenyl)ethanone.
Chemical Property Profile of 2-Bromo-4'-methylacetophenone
Property Insights of 2-Bromo-4'-methylacetophenone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4'-methylacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Bromo-4'-methylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4'-methylacetophenone has 0 hydrogen bond donor(s) and 1 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-4'-methylacetophenone?
The CAS number of 2-Bromo-4'-methylacetophenone is 619-41-0.
What is the molecular formula of 2-Bromo-4'-methylacetophenone?
The molecular formula of 2-Bromo-4'-methylacetophenone is C9H9BrO.
What is the molecular weight of 2-Bromo-4'-methylacetophenone?
The molecular weight of 2-Bromo-4'-methylacetophenone is 211.98 g/mol.
Where can I buy 2-Bromo-4'-methylacetophenone?
You can request a quote for 2-Bromo-4'-methylacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4'-methylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4'-methylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.