3-Bromo-4-oxo-4-p-tolyl-butyric acid
TL;DR: 3-Bromo-4-oxo-4-p-tolyl-butyric acid (CAS 53515-23-4) is a chemical compound with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-(4-methylphenyl)-4-oxobutanoic acid
Also Known As: 3-Bromo-4-oxo-4-p-tolyl-butyric acid, 3-bromo-4-(4-methylphenyl)-4-oxobutanoic acid, 3-Bromo-4-oxo-4-(p-tolyl)butanoic acid, 3-Brom-4-oxo-4-p-tolyl-buttersaeure, 3-Bromo-4-oxo-4-(p-tolyl)butanoicacid
| Molecular Formula | C11H11BrO3 |
|---|---|
| Molecular Weight | 269.99 g/mol |
| LogP | 2.41592 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.98917 |
| Heavy Atoms | 15 |
| Complexity | 369.92435 |
Chemical Identifiers
| CAS Number | 53515-23-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(CC(=O)O)Br |
Product Overview
3-Bromo-4-oxo-4-p-tolyl-butyric acid (CAS 53515-23-4), with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol. IUPAC: 3-bromo-4-(4-methylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 3-Bromo-4-oxo-4-p-tolyl-butyric acid
Property Insights of 3-Bromo-4-oxo-4-p-tolyl-butyric acid
The XLogP value of 2.41592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-oxo-4-p-tolyl-butyric acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Bromo-4-oxo-4-p-tolyl-butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-oxo-4-p-tolyl-butyric 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 3-Bromo-4-oxo-4-p-tolyl-butyric acid?
The CAS number of 3-Bromo-4-oxo-4-p-tolyl-butyric acid is 53515-23-4.
What is the molecular formula of 3-Bromo-4-oxo-4-p-tolyl-butyric acid?
The molecular formula of 3-Bromo-4-oxo-4-p-tolyl-butyric acid is C11H11BrO3.
What is the molecular weight of 3-Bromo-4-oxo-4-p-tolyl-butyric acid?
The molecular weight of 3-Bromo-4-oxo-4-p-tolyl-butyric acid is 269.99 g/mol.
Where can I buy 3-Bromo-4-oxo-4-p-tolyl-butyric acid?
You can request a quote for 3-Bromo-4-oxo-4-p-tolyl-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-oxo-4-p-tolyl-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-oxo-4-p-tolyl-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.