3,4-Dimethylacetophenone
TL;DR: 3,4-Dimethylacetophenone (CAS 3637-01-2) is a chemical compound with molecular formula C10H12O and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)ethanone
Also Known As: 3',4'-Dimethylacetophenone, 3,4-Dimethylacetophenone, 1-(3,4-Dimethylphenyl)ethanone, Ethanone, 1-(3,4-dimethylphenyl)-, 1-(3,4-Dimethylphenyl)ethan-1-one
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 3637-01-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)C)C |
| InChIKey | WPRAXAOJIODQJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethylacetophenone (CAS 3637-01-2), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 1-(3,4-dimethylphenyl)ethanone.
Chemical Property Profile of 3,4-Dimethylacetophenone
Property Insights of 3,4-Dimethylacetophenone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethylacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 3,4-Dimethylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylacetophenone 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 3,4-Dimethylacetophenone?
The CAS number of 3,4-Dimethylacetophenone is 3637-01-2.
What is the molecular formula of 3,4-Dimethylacetophenone?
The molecular formula of 3,4-Dimethylacetophenone is C10H12O.
What is the molecular weight of 3,4-Dimethylacetophenone?
The molecular weight of 3,4-Dimethylacetophenone is 148.09 g/mol.
Where can I buy 3,4-Dimethylacetophenone?
You can request a quote for 3,4-Dimethylacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.