2-(4-Bromophenoxy)-2-methylpropanoic acid
TL;DR: 2-(4-Bromophenoxy)-2-methylpropanoic acid (CAS 7472-69-7) is a chemical compound with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenoxy)-2-methylpropanoic acid
Also Known As: 2-(4-bromophenoxy)-2-methylpropanoic acid, TimTec1_001886, 2-(4-bromophenoxy)-2-methyl-propanoic acid, Propanoic acid, 2-(4-bromophenoxy)-2-methyl-, 2-(4-Bromophenoxy)isobutyric acid
| Molecular Formula | C10H11BrO3 |
|---|---|
| Molecular Weight | 257.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.98917 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 7472-69-7 |
|---|---|
| SMILES | CC(C)(C(=O)O)OC1=CC=C(C=C1)Br |
| InChIKey | NRDUHXQTTOHIJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Bromophenoxy)-2-methylpropanoic acid (CAS 7472-69-7), with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol. IUPAC: 2-(4-bromophenoxy)-2-methylpropanoic acid.
Chemical Property Profile of 2-(4-Bromophenoxy)-2-methylpropanoic acid
Property Insights of 2-(4-Bromophenoxy)-2-methylpropanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenoxy)-2-methylpropanoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(4-Bromophenoxy)-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenoxy)-2-methylpropanoic acid has 1 hydrogen bond donor(s) and 3 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 2-(4-Bromophenoxy)-2-methylpropanoic acid?
The CAS number of 2-(4-Bromophenoxy)-2-methylpropanoic acid is 7472-69-7.
What is the molecular formula of 2-(4-Bromophenoxy)-2-methylpropanoic acid?
The molecular formula of 2-(4-Bromophenoxy)-2-methylpropanoic acid is C10H11BrO3.
What is the molecular weight of 2-(4-Bromophenoxy)-2-methylpropanoic acid?
The molecular weight of 2-(4-Bromophenoxy)-2-methylpropanoic acid is 257.99 g/mol.
Where can I buy 2-(4-Bromophenoxy)-2-methylpropanoic acid?
You can request a quote for 2-(4-Bromophenoxy)-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenoxy)-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenoxy)-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.