2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid
TL;DR: 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid (CAS 64164-99-4) is a chemical compound with molecular formula C19H20O3 and molecular weight 296.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-methylbutan-2-yl)benzoyl]benzoic acid
Also Known As: 2-hydrazinyl-7h-purine, 2-[4-(1,1-dimethylpropyl)benzoyl]benzoic acid, 2-[4-(2-methylbutan-2-yl)benzoyl]benzoic acid, Benzoic acid, o-(p-tert-pentylbenzoyl)-, 2-(4-tert-Amylbenzoyl)benzoic acid
| Molecular Formula | C19H20O3 |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.14124 |
| Heavy Atoms | 22 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 64164-99-4 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | TWBTUJMPFAKNMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid (CAS 64164-99-4), with molecular formula C19H20O3 and molecular weight 296.14 g/mol. IUPAC: 2-[4-(2-methylbutan-2-yl)benzoyl]benzoic acid.
Chemical Property Profile of 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid
Property Insights of 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid
The XLogP value of 4.7 indicates that 2-(4-(1,1-Dimethylpropyl)benzoyl)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-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(1,1-Dimethylpropyl)benzoyl)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
Frequently Asked Questions
What is the CAS number of 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid?
The CAS number of 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid is 64164-99-4.
What is the molecular formula of 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid?
The molecular formula of 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid is C19H20O3.
What is the molecular weight of 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid?
The molecular weight of 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid is 296.14 g/mol.
Where can I buy 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid?
You can request a quote for 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(1,1-Dimethylpropyl)benzoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.