3-Methyl-2-propionyl-benzoic acid
TL;DR: 3-Methyl-2-propionyl-benzoic acid (CAS 92945-59-0) 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.
3-methyl-2-propanoylbenzoic acid
Also Known As: 3-methyl-2-propanoylbenzoic acid, 3-Methyl-2-propionyl-benzoic acid, 3-Methyl-2-propionylbenzoic acid, 2-Propanoyl-3-methylbenzoic acid, Benzoic acid, 3-methyl-2-(1-oxopropyl)-
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.0 |
| 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 | 235.0 |
Chemical Identifiers
| CAS Number | 92945-59-0 |
|---|---|
| SMILES | CCC(=O)C1=C(C=CC=C1C(=O)O)C |
| InChIKey | NHDLALXDVHJCQB-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-propionyl-benzoic acid (CAS 92945-59-0), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 3-methyl-2-propanoylbenzoic acid.
Chemical Property Profile of 3-Methyl-2-propionyl-benzoic acid
Property Insights of 3-Methyl-2-propionyl-benzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-propionyl-benzoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Methyl-2-propionyl-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-propionyl-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 3-Methyl-2-propionyl-benzoic acid?
The CAS number of 3-Methyl-2-propionyl-benzoic acid is 92945-59-0.
What is the molecular formula of 3-Methyl-2-propionyl-benzoic acid?
The molecular formula of 3-Methyl-2-propionyl-benzoic acid is C11H12O3.
What is the molecular weight of 3-Methyl-2-propionyl-benzoic acid?
The molecular weight of 3-Methyl-2-propionyl-benzoic acid is 192.08 g/mol.
Where can I buy 3-Methyl-2-propionyl-benzoic acid?
You can request a quote for 3-Methyl-2-propionyl-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-propionyl-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-propionyl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.