(4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid
TL;DR: (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid (CAS 17693-39-9) 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-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetic acid
Also Known As: 4-bromothymoxyacetic acid, (4-bromo-2-isopropyl-5-methylphenoxy)acetic acid, 2-(4-bromo-2-isopropyl-5-methylphenoxy)acetic acid, VU0509214-1, Y-1577
| 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 | 242.0 |
Chemical Identifiers
| CAS Number | 17693-39-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)O |
| InChIKey | PWFMMLDUJLXQOU-UHFFFAOYSA-N |
Product Overview
(4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid (CAS 17693-39-9), with molecular formula C12H15BrO3 and molecular weight 286.02 g/mol. IUPAC: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetic acid.
Chemical Property Profile of (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid
Property Insights of (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid
The XLogP value of 3.7 indicates that (4-Bromo-2-isopropyl-5-methylphenoxy)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, (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromo-2-isopropyl-5-methylphenoxy)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 (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid?
The CAS number of (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid is 17693-39-9.
What is the molecular formula of (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid?
The molecular formula of (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid is C12H15BrO3.
What is the molecular weight of (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid?
The molecular weight of (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid is 286.02 g/mol.
Where can I buy (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid?
You can request a quote for (4-Bromo-2-isopropyl-5-methylphenoxy)acetic 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-2-isopropyl-5-methylphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromo-2-isopropyl-5-methylphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.