4-(4-Bromophenyl)butyric Acid
TL;DR: 4-(4-Bromophenyl)butyric Acid (CAS 4042-59-5) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)butanoic acid
Also Known As: 4-(4-Bromophenyl)butanoic acid, 4-(4-Bromophenyl)butyric Acid, benzenebutanoic acid, 4-bromo-, amino 3-chlorobenzoate, 4-(p-Bromophenyl)butyric acid
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 4042-59-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCC(=O)O)Br |
| InChIKey | AGIIMNQWNPUJPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Bromophenyl)butyric Acid (CAS 4042-59-5), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: 4-(4-bromophenyl)butanoic acid.
Chemical Property Profile of 4-(4-Bromophenyl)butyric Acid
Property Insights of 4-(4-Bromophenyl)butyric Acid
The XLogP value of 3.0 indicates that 4-(4-Bromophenyl)butyric 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, 4-(4-Bromophenyl)butyric Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)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 4-(4-Bromophenyl)butyric Acid?
The CAS number of 4-(4-Bromophenyl)butyric Acid is 4042-59-5.
What is the molecular formula of 4-(4-Bromophenyl)butyric Acid?
The molecular formula of 4-(4-Bromophenyl)butyric Acid is C10H11BrO2.
What is the molecular weight of 4-(4-Bromophenyl)butyric Acid?
The molecular weight of 4-(4-Bromophenyl)butyric Acid is 241.99 g/mol.
Where can I buy 4-(4-Bromophenyl)butyric Acid?
You can request a quote for 4-(4-Bromophenyl)butyric Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromophenyl)butyric Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)butyric Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.