2-Bromo-1-(4-chloro-3-methylphenyl)ethanone
TL;DR: 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone (CAS 20519-79-3) is a chemical compound with molecular formula C9H8BrClO and molecular weight 245.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(4-chloro-3-methylphenyl)ethanone
Also Known As: 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone, 2-BROMO-1-(4-CHLORO-3-METHYLPHENYL)ETHAN-1-ONE, 4-Chloro-3-methylphenacyl bromide, 2-BROMO-1- ETHAN-1-ONE, Ethanone, 2-bromo-1-(4-chloro-3-methylphenyl)-
| Molecular Formula | C9H8BrClO |
|---|---|
| Molecular Weight | 245.94 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.94472 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 20519-79-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)CBr)Cl |
| InChIKey | LUCPZLPBUCDKQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1-(4-chloro-3-methylphenyl)ethanone (CAS 20519-79-3), with molecular formula C9H8BrClO and molecular weight 245.94 g/mol. IUPAC: 2-bromo-1-(4-chloro-3-methylphenyl)ethanone.
Chemical Property Profile of 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone
Property Insights of 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone
The XLogP value of 3.9 indicates that 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(4-chloro-3-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 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone?
The CAS number of 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone is 20519-79-3.
What is the molecular formula of 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone?
The molecular formula of 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone is C9H8BrClO.
What is the molecular weight of 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone?
The molecular weight of 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone is 245.94 g/mol.
Where can I buy 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone?
You can request a quote for 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone 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-chloro-3-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(4-chloro-3-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.