2-(2-Methylpropanoyl)benzoic acid
TL;DR: 2-(2-Methylpropanoyl)benzoic acid (CAS 9005-67-8) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropanoyl)benzoic acid
Also Known As: 2-(2-methylpropanoyl)benzoic acid, Tween 60, o-isobutyrylbenzoic acid, 2'-Carboxy-isobutyrophenon, 2-(2-methyl-1-oxopropyl)Benzoic acid
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 9005-67-8 |
|---|---|
| SMILES | CC(C)C(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | BXSNGPWULWQNQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Methylpropanoyl)benzoic acid (CAS 9005-67-8), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 2-(2-methylpropanoyl)benzoic acid.
Chemical Property Profile of 2-(2-Methylpropanoyl)benzoic acid
Property Insights of 2-(2-Methylpropanoyl)benzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methylpropanoyl)benzoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(2-Methylpropanoyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Methylpropanoyl)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-(2-Methylpropanoyl)benzoic acid?
The CAS number of 2-(2-Methylpropanoyl)benzoic acid is 9005-67-8.
What is the molecular formula of 2-(2-Methylpropanoyl)benzoic acid?
The molecular formula of 2-(2-Methylpropanoyl)benzoic acid is C11H12O3.
What is the molecular weight of 2-(2-Methylpropanoyl)benzoic acid?
The molecular weight of 2-(2-Methylpropanoyl)benzoic acid is 192.08 g/mol.
Where can I buy 2-(2-Methylpropanoyl)benzoic acid?
You can request a quote for 2-(2-Methylpropanoyl)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-(2-Methylpropanoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methylpropanoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.