1-(2-Bromo-5-methylphenyl)ethanone
TL;DR: 1-(2-Bromo-5-methylphenyl)ethanone (CAS 77344-70-8) 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.
1-(2-bromo-5-methylphenyl)ethanone
Also Known As: 1-(2-bromo-5-methylphenyl)ethanone, 1-(2-bromo-5-methylphenyl)ethan-1-one, Ethanone, 1-(2-bromo-5-methylphenyl)-, 1-(2-bromo-5-methylphenyl)ethanone, 95% - 1G 1g, 2 inverted exclamation mark -Bromo-5 inverted exclamation mark -methylacetophenone
| Molecular Formula | C9H9BrO |
|---|---|
| Molecular Weight | 211.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.98367 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 77344-70-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Br)C(=O)C |
| InChIKey | GNWZVFXHHVJNIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Bromo-5-methylphenyl)ethanone (CAS 77344-70-8), with molecular formula C9H9BrO and molecular weight 211.98 g/mol. IUPAC: 1-(2-bromo-5-methylphenyl)ethanone.
Chemical Property Profile of 1-(2-Bromo-5-methylphenyl)ethanone
Property Insights of 1-(2-Bromo-5-methylphenyl)ethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Bromo-5-methylphenyl)ethanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(2-Bromo-5-methylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromo-5-methylphenyl)ethanone 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 1-(2-Bromo-5-methylphenyl)ethanone?
The CAS number of 1-(2-Bromo-5-methylphenyl)ethanone is 77344-70-8.
What is the molecular formula of 1-(2-Bromo-5-methylphenyl)ethanone?
The molecular formula of 1-(2-Bromo-5-methylphenyl)ethanone is C9H9BrO.
What is the molecular weight of 1-(2-Bromo-5-methylphenyl)ethanone?
The molecular weight of 1-(2-Bromo-5-methylphenyl)ethanone is 211.98 g/mol.
Where can I buy 1-(2-Bromo-5-methylphenyl)ethanone?
You can request a quote for 1-(2-Bromo-5-methylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromo-5-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromo-5-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.