3',4'-Dimethoxybutyrophenone
TL;DR: 3',4'-Dimethoxybutyrophenone (CAS 54419-21-5) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dimethoxyphenyl)butan-1-one
Also Known As: 3',4'-Dimethoxybutyrophenone, 1-(3,4-dimethoxyphenyl)butan-1-one, 1-(3,4-Dimethoxyphenyl)-1-butanone, Maybridge3_004386, 4-Butyryl-1,2-dimethoxybenzene
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
| SMILES | CCCC(=O)C1=CC(=C(C=C1)OC)OC |
| InChIKey | VMDUYDPNEDZGBN-UHFFFAOYSA-N |
Chemical Property Profile of 3',4'-Dimethoxybutyrophenone
Property Insights of 3',4'-Dimethoxybutyrophenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',4'-Dimethoxybutyrophenone. With a topological polar surface area (TPSA) of 35.5 Ų, 3',4'-Dimethoxybutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',4'-Dimethoxybutyrophenone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3',4'-Dimethoxybutyrophenone?
The CAS number of 3',4'-Dimethoxybutyrophenone is 54419-21-5.
What is the molecular formula of 3',4'-Dimethoxybutyrophenone?
The molecular formula of 3',4'-Dimethoxybutyrophenone is C12H16O3.
What is the molecular weight of 3',4'-Dimethoxybutyrophenone?
The molecular weight of 3',4'-Dimethoxybutyrophenone is 208.10994 g/mol.
Where can I buy 3',4'-Dimethoxybutyrophenone?
You can request a quote for 3',4'-Dimethoxybutyrophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3',4'-Dimethoxybutyrophenone?
Yes, CoreyChem provides custom synthesis services for 3',4'-Dimethoxybutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.