2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid
TL;DR: 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid (CAS 111385-66-1) is a chemical compound with molecular formula C19H20O3 and molecular weight 296.14124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3,4,5,6-pentamethylbenzoyl)benzoic acid
Also Known As: 2-(2,3,4,5,6-pentamethylbenzoyl)benzoic acid, Maybridge1_002905, 2-(Pentamethylbenzoyl)benzoic acid, DivK1c_001657, 2-pentamethylbenzoylbenzoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H20O3 |
| Molecular Weight | 296.14124 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.14124 Da |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
| SMILES | CC1=C(C(=C(C(=C1C)C)C(=O)C2=CC=CC=C2C(=O)O)C)C |
| InChIKey | DQCUMOMIHACOJZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid
Property Insights of 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid
The XLogP value of 4.3 indicates that 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic 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
What is the CAS number of 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid?
The CAS number of 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid is 111385-66-1.
What is the molecular formula of 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid?
The molecular formula of 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid is C19H20O3.
What is the molecular weight of 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid?
The molecular weight of 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid is 296.14124 g/mol.
Where can I buy 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid?
You can request a quote for 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2,3,4,5,6-Pentamethylbenzoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.