4-(3,5-Dimethylphenyl)-4-oxobutanoic acid
TL;DR: 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid (CAS 36749-41-4) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dimethylphenyl)-4-oxobutanoic acid
Also Known As: Trimeprazine tartrate, 4-(3,5-DIMETHYLPHENYL)-4-OXOBUTYRIC ACID, 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid, 3-(3,5-dimethylbenzoyl)propionic acid, beta-(3,5-Dimethylbenzoyl)propionsaeure
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 36749-41-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)CCC(=O)O)C |
| InChIKey | WDDSSQHQVXZHCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3,5-Dimethylphenyl)-4-oxobutanoic acid (CAS 36749-41-4), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 4-(3,5-dimethylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid
Property Insights of 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 3 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 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid?
The CAS number of 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid is 36749-41-4.
What is the molecular formula of 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid?
The molecular formula of 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid is C12H14O3.
What is the molecular weight of 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid?
The molecular weight of 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid is 206.09 g/mol.
Where can I buy 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid?
You can request a quote for 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Dimethylphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.