4-Bromo-4-phenylbutyric acid
TL;DR: 4-Bromo-4-phenylbutyric acid (CAS 19078-75-2) 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-bromo-4-phenylbutanoic acid
Also Known As: 4-Bromo-4-phenylbutyric acid, 4-Bromo-4-phenylbutanoic acid, Butyric acid, 4-bromo-4-phenyl-, gamma-Bromobenzenebutyric acid, 4-Bromo-4-phenylbutanoic acid #
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.4 |
| 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 | 164.0 |
Chemical Identifiers
| CAS Number | 19078-75-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCC(=O)O)Br |
| InChIKey | PWNLWGDSLXNNFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-4-phenylbutyric acid (CAS 19078-75-2), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: 4-bromo-4-phenylbutanoic acid.
Chemical Property Profile of 4-Bromo-4-phenylbutyric acid
Property Insights of 4-Bromo-4-phenylbutyric acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-4-phenylbutyric acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromo-4-phenylbutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-4-phenylbutyric 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-Bromo-4-phenylbutyric acid?
The CAS number of 4-Bromo-4-phenylbutyric acid is 19078-75-2.
What is the molecular formula of 4-Bromo-4-phenylbutyric acid?
The molecular formula of 4-Bromo-4-phenylbutyric acid is C10H11BrO2.
What is the molecular weight of 4-Bromo-4-phenylbutyric acid?
The molecular weight of 4-Bromo-4-phenylbutyric acid is 241.99 g/mol.
Where can I buy 4-Bromo-4-phenylbutyric acid?
You can request a quote for 4-Bromo-4-phenylbutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-4-phenylbutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-4-phenylbutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.