4-(3-Methylphenyl)-4-oxobutyric acid
TL;DR: 4-(3-Methylphenyl)-4-oxobutyric acid (CAS 59618-44-9) 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.
4-(3-methylphenyl)-4-oxobutanoic acid
Also Known As: 4-(3-Methylphenyl)-4-oxobutyric acid, 4-(3-methylphenyl)-4-oxobutanoic acid, 4-Oxo-4-(m-tolyl)butanoic acid, 3-(m-toluoyl)propionic acid, 4- -4-OXOBUTYRICACID
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.04252 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 355.3052 |
Chemical Identifiers
| CAS Number | 59618-44-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)CCC(=O)O |
Product Overview
4-(3-Methylphenyl)-4-oxobutyric acid (CAS 59618-44-9), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 4-(3-methylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3-Methylphenyl)-4-oxobutyric acid
Property Insights of 4-(3-Methylphenyl)-4-oxobutyric acid
The XLogP value of 2.04252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methylphenyl)-4-oxobutyric acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(3-Methylphenyl)-4-oxobutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methylphenyl)-4-oxobutyric acid has 1 hydrogen bond donor(s) and 2 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 4-(3-Methylphenyl)-4-oxobutyric acid?
The CAS number of 4-(3-Methylphenyl)-4-oxobutyric acid is 59618-44-9.
What is the molecular formula of 4-(3-Methylphenyl)-4-oxobutyric acid?
The molecular formula of 4-(3-Methylphenyl)-4-oxobutyric acid is C11H12O3.
What is the molecular weight of 4-(3-Methylphenyl)-4-oxobutyric acid?
The molecular weight of 4-(3-Methylphenyl)-4-oxobutyric acid is 192.08 g/mol.
Where can I buy 4-(3-Methylphenyl)-4-oxobutyric acid?
You can request a quote for 4-(3-Methylphenyl)-4-oxobutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methylphenyl)-4-oxobutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methylphenyl)-4-oxobutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.