2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid
TL;DR: 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid (CAS 944-82-1) is a chemical compound with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromo-2,4,6-trimethylphenyl)acetic acid
Also Known As: 2-(3-bromo-2,4,6-trimethylphenyl)acetic acid, (3-Bromo-mesityl)acetic acid, 2,4,6-trimethyl-3-bromophenylacetic acid, (3-bromo-2,4,6-trimethyl-phenyl)-acetic acid, 2-(3-bromo-2,4,6-trimethylphenyl)aceticacid
| Molecular Formula | C11H13BrO2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.0099 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 944-82-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CC(=O)O)C)Br)C |
| InChIKey | PSUPULQCJYCLDR-UHFFFAOYSA-N |
Product Overview
2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid (CAS 944-82-1), with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol. IUPAC: 2-(3-bromo-2,4,6-trimethylphenyl)acetic acid.
Chemical Property Profile of 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid
Property Insights of 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid
The XLogP value of 3.2 indicates that 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromo-2,4,6-trimethylphenyl)acetic 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 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid?
The CAS number of 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid is 944-82-1.
What is the molecular formula of 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid?
The molecular formula of 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid is C11H13BrO2.
What is the molecular weight of 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid?
The molecular weight of 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid is 256.01 g/mol.
Where can I buy 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid?
You can request a quote for 2-(3-Bromo-2,4,6-trimethylphenyl)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-(3-Bromo-2,4,6-trimethylphenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromo-2,4,6-trimethylphenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.