2-(2,4,5-Trimethylphenyl)acetic acid
TL;DR: 2-(2,4,5-Trimethylphenyl)acetic acid (CAS 3167-01-9) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,5-trimethylphenyl)acetic acid
Also Known As: (2,4,5-trimethylphenyl)acetic acid, 2-(2,4,5-trimethylphenyl)acetic acid, 2,4,5-trimethylphenylacetic acid, 2,4,5-trimethyl-phenylacetic acid, (2,4,5-Trimethyl-phenyl)-acetic acid
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 3167-01-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)CC(=O)O)C |
| InChIKey | NGJKVDNPUSPLQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,4,5-Trimethylphenyl)acetic acid (CAS 3167-01-9), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-(2,4,5-trimethylphenyl)acetic acid.
Chemical Property Profile of 2-(2,4,5-Trimethylphenyl)acetic acid
Property Insights of 2-(2,4,5-Trimethylphenyl)acetic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4,5-Trimethylphenyl)acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(2,4,5-Trimethylphenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4,5-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-(2,4,5-Trimethylphenyl)acetic acid?
The CAS number of 2-(2,4,5-Trimethylphenyl)acetic acid is 3167-01-9.
What is the molecular formula of 2-(2,4,5-Trimethylphenyl)acetic acid?
The molecular formula of 2-(2,4,5-Trimethylphenyl)acetic acid is C11H14O2.
What is the molecular weight of 2-(2,4,5-Trimethylphenyl)acetic acid?
The molecular weight of 2-(2,4,5-Trimethylphenyl)acetic acid is 178.10 g/mol.
Where can I buy 2-(2,4,5-Trimethylphenyl)acetic acid?
You can request a quote for 2-(2,4,5-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-(2,4,5-Trimethylphenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4,5-Trimethylphenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.