4-(4-Bromo-2-isopropylphenoxy)butanoic acid
TL;DR: 4-(4-Bromo-2-isopropylphenoxy)butanoic acid (CAS 691372-10-8) is a chemical compound with molecular formula C13H17BrO3 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromo-2-propan-2-ylphenoxy)butanoic acid
Also Known As: 4-(4-bromo-2-isopropylphenoxy)butanoic acid, 4-(4-bromo-2-cumenyloxy)butyric acid, 4-(4-bromo-2-propan-2-ylphenoxy)butanoic acid, 4-[4-bromo-2-(methylethyl)phenoxy]butanoic acid, VU0509221-1
| Molecular Formula | C13H17BrO3 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 3.8161 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.0361 |
| Heavy Atoms | 17 |
| Complexity | 388.251 |
Chemical Identifiers
| CAS Number | 691372-10-8 |
|---|---|
| SMILES | CC(C)C1=C(C=CC(=C1)Br)OCCCC(=O)O |
Product Overview
4-(4-Bromo-2-isopropylphenoxy)butanoic acid (CAS 691372-10-8), with molecular formula C13H17BrO3 and molecular weight 300.04 g/mol. IUPAC: 4-(4-bromo-2-propan-2-ylphenoxy)butanoic acid.
Chemical Property Profile of 4-(4-Bromo-2-isopropylphenoxy)butanoic acid
Property Insights of 4-(4-Bromo-2-isopropylphenoxy)butanoic acid
The XLogP value of 3.8161 indicates that 4-(4-Bromo-2-isopropylphenoxy)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(4-Bromo-2-isopropylphenoxy)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromo-2-isopropylphenoxy)butanoic 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-Bromo-2-isopropylphenoxy)butanoic acid?
The CAS number of 4-(4-Bromo-2-isopropylphenoxy)butanoic acid is 691372-10-8.
What is the molecular formula of 4-(4-Bromo-2-isopropylphenoxy)butanoic acid?
The molecular formula of 4-(4-Bromo-2-isopropylphenoxy)butanoic acid is C13H17BrO3.
What is the molecular weight of 4-(4-Bromo-2-isopropylphenoxy)butanoic acid?
The molecular weight of 4-(4-Bromo-2-isopropylphenoxy)butanoic acid is 300.04 g/mol.
Where can I buy 4-(4-Bromo-2-isopropylphenoxy)butanoic acid?
You can request a quote for 4-(4-Bromo-2-isopropylphenoxy)butanoic 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-Bromo-2-isopropylphenoxy)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromo-2-isopropylphenoxy)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.