![1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone structure](/static/products/4120/412013-51-5.webp)
1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone
TL;DR: 1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone (CAS 412013-51-5) is a chemical compound with molecular formula C12H15ClO and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(chloromethyl)-2,4,6-trimethylphenyl]ethanone
Also Known As: 1-[3-(chloromethyl)-2,4,6-trimethylphenyl]ethanone, 1-(3-(Chloromethyl)-2,4,6-trimethylphenyl)ethanone, 1-[3-(chloromethyl)-2,4,6-trimethylphenyl]ethan-1-one, 1-(3-Chloromethyl-2,4,6-trimethylphenyl)ethanone, 1-3-(chloromethyl)-2,4,6-trimethylphenylethanone
| Molecular Formula | C12H15ClO |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.08115 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 412013-51-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CCl)C)C(=O)C)C |
| InChIKey | IDTSHTPFUYLXGB-UHFFFAOYSA-N |
Product Overview
1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone (CAS 412013-51-5), with molecular formula C12H15ClO and molecular weight 210.08 g/mol. IUPAC: 1-[3-(chloromethyl)-2,4,6-trimethylphenyl]ethanone.
Chemical Property Profile of 1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone
Property Insights of 1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone
The XLogP value of 3.1 indicates that 1-[3-(Chloromethyl)-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-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(Chloromethyl)-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-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone?
The CAS number of 1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone is 412013-51-5.
What is the molecular formula of 1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone?
The molecular formula of 1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone is C12H15ClO.
What is the molecular weight of 1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone?
The molecular weight of 1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone is 210.08 g/mol.
Where can I buy 1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone?
You can request a quote for 1-[3-(Chloromethyl)-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-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(Chloromethyl)-2,4,6-trimethylphenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.