(2-Bromo-4-tert-butylphenoxy)acetic acid
TL;DR: (2-Bromo-4-tert-butylphenoxy)acetic acid (CAS 117947-05-4) 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.
2-(2-bromo-4-tert-butylphenoxy)acetic acid
Also Known As: (2-bromo-4-tert-butylphenoxy)acetic acid, 2-(2-Bromo-4-(tert-butyl)phenoxy)acetic acid, 2-(2-bromo-4-tert-butylphenoxy)acetic acid, 2-[2-BROMO-4-(TERT-BUTYL)PHENOXY]ACETIC ACID, 2-bromo-4-tert-butylphenoxyacetic acid
| Molecular Formula | C12H15BrO3 |
|---|---|
| Molecular Weight | 286.02 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.02045 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 117947-05-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OCC(=O)O)Br |
| InChIKey | PJNXDLJWFAAMPA-UHFFFAOYSA-N |
Product Overview
(2-Bromo-4-tert-butylphenoxy)acetic acid (CAS 117947-05-4), with molecular formula C12H15BrO3 and molecular weight 286.02 g/mol. IUPAC: 2-(2-bromo-4-tert-butylphenoxy)acetic acid.
Chemical Property Profile of (2-Bromo-4-tert-butylphenoxy)acetic acid
Property Insights of (2-Bromo-4-tert-butylphenoxy)acetic acid
The XLogP value of 3.7 indicates that (2-Bromo-4-tert-butylphenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (2-Bromo-4-tert-butylphenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Bromo-4-tert-butylphenoxy)acetic 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-Bromo-4-tert-butylphenoxy)acetic acid?
The CAS number of (2-Bromo-4-tert-butylphenoxy)acetic acid is 117947-05-4.
What is the molecular formula of (2-Bromo-4-tert-butylphenoxy)acetic acid?
The molecular formula of (2-Bromo-4-tert-butylphenoxy)acetic acid is C12H15BrO3.
What is the molecular weight of (2-Bromo-4-tert-butylphenoxy)acetic acid?
The molecular weight of (2-Bromo-4-tert-butylphenoxy)acetic acid is 286.02 g/mol.
Where can I buy (2-Bromo-4-tert-butylphenoxy)acetic acid?
You can request a quote for (2-Bromo-4-tert-butylphenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Bromo-4-tert-butylphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Bromo-4-tert-butylphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.