2-Chloro-1-(3,4-dimethylphenyl)ethanone
TL;DR: 2-Chloro-1-(3,4-dimethylphenyl)ethanone (CAS 719-70-0) is a chemical compound with molecular formula C10H11ClO and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(3,4-dimethylphenyl)ethanone
Also Known As: 2-chloro-1-(3,4-dimethylphenyl)ethanone, 2-chloro-1-(3,4-dimethylphenyl)ethan-1-one, Ethanone,2-chloro-1- -, 3,4-Dimethylphenacylchlorid, Ethanone, 2-chloro-1-(3,4-dimethylphenyl)- (9CI)
| Molecular Formula | C10H11ClO |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 2.72494 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.04984 |
| Heavy Atoms | 12 |
| Complexity | 304.70694 |
Chemical Identifiers
| CAS Number | 719-70-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)CCl)C |
Product Overview
2-Chloro-1-(3,4-dimethylphenyl)ethanone (CAS 719-70-0), with molecular formula C10H11ClO and molecular weight 182.05 g/mol. IUPAC: 2-chloro-1-(3,4-dimethylphenyl)ethanone.
Chemical Property Profile of 2-Chloro-1-(3,4-dimethylphenyl)ethanone
Property Insights of 2-Chloro-1-(3,4-dimethylphenyl)ethanone
The XLogP value of 2.72494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(3,4-dimethylphenyl)ethanone. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Chloro-1-(3,4-dimethylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(3,4-dimethylphenyl)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-(3,4-dimethylphenyl)ethanone?
The CAS number of 2-Chloro-1-(3,4-dimethylphenyl)ethanone is 719-70-0.
What is the molecular formula of 2-Chloro-1-(3,4-dimethylphenyl)ethanone?
The molecular formula of 2-Chloro-1-(3,4-dimethylphenyl)ethanone is C10H11ClO.
What is the molecular weight of 2-Chloro-1-(3,4-dimethylphenyl)ethanone?
The molecular weight of 2-Chloro-1-(3,4-dimethylphenyl)ethanone is 182.05 g/mol.
Where can I buy 2-Chloro-1-(3,4-dimethylphenyl)ethanone?
You can request a quote for 2-Chloro-1-(3,4-dimethylphenyl)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-(3,4-dimethylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(3,4-dimethylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.