4-Chloro-3',4'-dimethylbutyrophenone
TL;DR: 4-Chloro-3',4'-dimethylbutyrophenone (CAS 74298-66-1) is a chemical compound with molecular formula C12H15ClO and molecular weight 210.08115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-(3,4-dimethylphenyl)butan-1-one
Also Known As: 4-Chloro-3',4'-dimethylbutyrophenone, 4-chloro-1-(3,4-dimethylphenyl)butan-1-one, 4-CHLORO-1-(3,4-DIMETHYLPHENYL)-1-BUTANONE, 4-CHLORO-1- -1-BUTANONE, 1-(3,4-Dimethylphenyl)-4-chloro-1-butanone
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15ClO |
| Molecular Weight | 210.08115 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.08115 Da |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)CCCCl)C |
| InChIKey | UMVFZGUNLWQTHV-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-3',4'-dimethylbutyrophenone
Property Insights of 4-Chloro-3',4'-dimethylbutyrophenone
The XLogP value of 3.2 indicates that 4-Chloro-3',4'-dimethylbutyrophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Chloro-3',4'-dimethylbutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3',4'-dimethylbutyrophenone 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
What is the CAS number of 4-Chloro-3',4'-dimethylbutyrophenone?
The CAS number of 4-Chloro-3',4'-dimethylbutyrophenone is 74298-66-1.
What is the molecular formula of 4-Chloro-3',4'-dimethylbutyrophenone?
The molecular formula of 4-Chloro-3',4'-dimethylbutyrophenone is C12H15ClO.
What is the molecular weight of 4-Chloro-3',4'-dimethylbutyrophenone?
The molecular weight of 4-Chloro-3',4'-dimethylbutyrophenone is 210.08115 g/mol.
Where can I buy 4-Chloro-3',4'-dimethylbutyrophenone?
You can request a quote for 4-Chloro-3',4'-dimethylbutyrophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3',4'-dimethylbutyrophenone?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3',4'-dimethylbutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.