4-(3,4-Dimethylphenyl)benzoate
TL;DR: 4-(3,4-Dimethylphenyl)benzoate (CAS 122294-09-1) is a chemical compound with molecular formula C15H13O2- and molecular weight 225.09155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,4-dimethylphenyl)benzoate
Also Known As: [1,1'-Biphenyl]-4-carboxylicacid, 3',4'-dimethyl-
Technical Specifications
| Molecular Formula | C15H13O2- |
| Molecular Weight | 225.09155 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.09155 Da |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
| SMILES | CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])C |
| InChIKey | GFGYCDJAIZGZTK-UHFFFAOYSA-M |
Chemical Property Profile of 4-(3,4-Dimethylphenyl)benzoate
Property Insights of 4-(3,4-Dimethylphenyl)benzoate
The XLogP value of 4.5 indicates that 4-(3,4-Dimethylphenyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 4-(3,4-Dimethylphenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Dimethylphenyl)benzoate has 0 hydrogen bond donor(s) and 2 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-(3,4-Dimethylphenyl)benzoate?
The CAS number of 4-(3,4-Dimethylphenyl)benzoate is 122294-09-1.
What is the molecular formula of 4-(3,4-Dimethylphenyl)benzoate?
The molecular formula of 4-(3,4-Dimethylphenyl)benzoate is C15H13O2-.
What is the molecular weight of 4-(3,4-Dimethylphenyl)benzoate?
The molecular weight of 4-(3,4-Dimethylphenyl)benzoate is 225.09155 g/mol.
Where can I buy 4-(3,4-Dimethylphenyl)benzoate?
You can request a quote for 4-(3,4-Dimethylphenyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3,4-Dimethylphenyl)benzoate?
Yes, CoreyChem provides custom synthesis services for 4-(3,4-Dimethylphenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.