2-Chloro-1-(pentamethylphenyl)ethanone
TL;DR: 2-Chloro-1-(pentamethylphenyl)ethanone (CAS 57196-63-1) is a chemical compound with molecular formula C13H17ClO and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethanone
Also Known As: 2-chloro-1-(pentamethylphenyl)ethanone, 2,3,4,5,6-Pentamethylphenacyl chloride, 2-Chloro-1-(2,3,4,5,6-pentamethylphenyl)ethan-1-one, 2-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethanone, 2-chloro-1-(pentamethylphenyl)ethan-1-one
| Molecular Formula | C13H17ClO |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 3.6502 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.09679 |
| Heavy Atoms | 15 |
| Complexity | 390.0295 |
Chemical Identifiers
| CAS Number | 57196-63-1 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)C(=O)CCl)C)C |
Product Overview
2-Chloro-1-(pentamethylphenyl)ethanone (CAS 57196-63-1), with molecular formula C13H17ClO and molecular weight 224.10 g/mol. IUPAC: 2-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethanone.
Chemical Property Profile of 2-Chloro-1-(pentamethylphenyl)ethanone
Property Insights of 2-Chloro-1-(pentamethylphenyl)ethanone
The XLogP value of 3.6502 indicates that 2-Chloro-1-(pentamethylphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Chloro-1-(pentamethylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(pentamethylphenyl)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-Chloro-1-(pentamethylphenyl)ethanone?
The CAS number of 2-Chloro-1-(pentamethylphenyl)ethanone is 57196-63-1.
What is the molecular formula of 2-Chloro-1-(pentamethylphenyl)ethanone?
The molecular formula of 2-Chloro-1-(pentamethylphenyl)ethanone is C13H17ClO.
What is the molecular weight of 2-Chloro-1-(pentamethylphenyl)ethanone?
The molecular weight of 2-Chloro-1-(pentamethylphenyl)ethanone is 224.10 g/mol.
Where can I buy 2-Chloro-1-(pentamethylphenyl)ethanone?
You can request a quote for 2-Chloro-1-(pentamethylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(pentamethylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(pentamethylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.