1-(3-Bromo-2,4,6-trimethylphenyl)ethanone
TL;DR: 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone (CAS 408511-50-2) is a chemical compound with molecular formula C11H13BrO and molecular weight 240.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromo-2,4,6-trimethylphenyl)ethanone
Also Known As: NCIOpen2_003200, 2,4,6-trimethyl phenylpropiolic acid, 1-(3-bromo-2,4,6-trimethylphenyl)ethanone
| Molecular Formula | C11H13BrO |
|---|---|
| Molecular Weight | 240.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.01498 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 408511-50-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)C)C)Br)C |
| InChIKey | VMDVFAMLRNLQDS-UHFFFAOYSA-N |
Product Overview
1-(3-Bromo-2,4,6-trimethylphenyl)ethanone (CAS 408511-50-2), with molecular formula C11H13BrO and molecular weight 240.01 g/mol. IUPAC: 1-(3-bromo-2,4,6-trimethylphenyl)ethanone.
Chemical Property Profile of 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone
Property Insights of 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone
The XLogP value of 3.4 indicates that 1-(3-Bromo-2,4,6-trimethylphenyl)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, 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromo-2,4,6-trimethylphenyl)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-(3-Bromo-2,4,6-trimethylphenyl)ethanone?
The CAS number of 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone is 408511-50-2.
What is the molecular formula of 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone?
The molecular formula of 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone is C11H13BrO.
What is the molecular weight of 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone?
The molecular weight of 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone is 240.01 g/mol.
Where can I buy 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone?
You can request a quote for 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromo-2,4,6-trimethylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.