3-(3-Bromo-4-methylphenyl)butanoic acid
TL;DR: 3-(3-Bromo-4-methylphenyl)butanoic acid (CAS 61692-72-6) is a chemical compound with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-4-methylphenyl)butanoic acid
Also Known As: 3-(3-bromo-4-methylphenyl)butanoic acid, 3-(3-bromo-4-methyl-phenyl)butanoic Acid
| Molecular Formula | C11H13BrO2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 3.33572 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0099 |
| Heavy Atoms | 14 |
| Complexity | 347.1408 |
Chemical Identifiers
| CAS Number | 61692-72-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)CC(=O)O)Br |
Product Overview
3-(3-Bromo-4-methylphenyl)butanoic acid (CAS 61692-72-6), with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol. IUPAC: 3-(3-bromo-4-methylphenyl)butanoic acid.
Chemical Property Profile of 3-(3-Bromo-4-methylphenyl)butanoic acid
Property Insights of 3-(3-Bromo-4-methylphenyl)butanoic acid
The XLogP value of 3.33572 indicates that 3-(3-Bromo-4-methylphenyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(3-Bromo-4-methylphenyl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromo-4-methylphenyl)butanoic acid has 1 hydrogen bond donor(s) and 1 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-(3-Bromo-4-methylphenyl)butanoic acid?
The CAS number of 3-(3-Bromo-4-methylphenyl)butanoic acid is 61692-72-6.
What is the molecular formula of 3-(3-Bromo-4-methylphenyl)butanoic acid?
The molecular formula of 3-(3-Bromo-4-methylphenyl)butanoic acid is C11H13BrO2.
What is the molecular weight of 3-(3-Bromo-4-methylphenyl)butanoic acid?
The molecular weight of 3-(3-Bromo-4-methylphenyl)butanoic acid is 256.01 g/mol.
Where can I buy 3-(3-Bromo-4-methylphenyl)butanoic acid?
You can request a quote for 3-(3-Bromo-4-methylphenyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromo-4-methylphenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromo-4-methylphenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.