4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid
TL;DR: 4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid (CAS 685853-38-7) is a chemical compound with molecular formula C12H15BrO3 and molecular weight 286.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromo-2,3-dimethylphenoxy)butanoic acid
Also Known As: 4-(4-bromo-2,3-dimethylphenoxy)butanoic acid, 4-(4-bromo-2,3-dimethyl-phenoxy)butanoic Acid, AS-871/43118734, F3099-3906
| Molecular Formula | C12H15BrO3 |
|---|---|
| Molecular Weight | 286.02 g/mol |
| LogP | 3.30954 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.02045 |
| Heavy Atoms | 16 |
| Complexity | 388.09543 |
Chemical Identifiers
| CAS Number | 685853-38-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)Br)OCCCC(=O)O |
Product Overview
4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid (CAS 685853-38-7), with molecular formula C12H15BrO3 and molecular weight 286.02 g/mol. IUPAC: 4-(4-bromo-2,3-dimethylphenoxy)butanoic acid.
Chemical Property Profile of 4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid
Property Insights of 4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid
The XLogP value of 3.30954 indicates that 4-(4-Bromo-2,3-dimethylphenoxy)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-2,3-dimethylphenoxy)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromo-2,3-dimethylphenoxy)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-2,3-dimethylphenoxy)butanoic acid?
The CAS number of 4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid is 685853-38-7.
What is the molecular formula of 4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid?
The molecular formula of 4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid is C12H15BrO3.
What is the molecular weight of 4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid?
The molecular weight of 4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid is 286.02 g/mol.
Where can I buy 4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid?
You can request a quote for 4-(4-Bromo-2,3-dimethylphenoxy)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-2,3-dimethylphenoxy)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromo-2,3-dimethylphenoxy)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.