2-(2,3-Dimethylphenyl)-3-methylbutanoic acid
TL;DR: 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid (CAS 106865-02-5) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3-dimethylphenyl)-3-methylbutanoic acid
Also Known As: 2-(2,3-dimethylphenyl)-3-methylbutanoic acid, 2-(2,3-dimethylphenyl)-3-methylbutanoicacid, 2-(2,3-dimethylphenyl)-3-methyl-butanoic acid
Technical Specifications
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.13068 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.13068 Da |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
| SMILES | CC1=C(C(=CC=C1)C(C(C)C)C(=O)O)C |
| InChIKey | JWGATTNQHJYNSU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid
Property Insights of 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid
The XLogP value of 3.5 indicates that 2-(2,3-Dimethylphenyl)-3-methylbutanoic 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-(2,3-Dimethylphenyl)-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3-Dimethylphenyl)-3-methylbutanoic 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
What is the CAS number of 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid?
The CAS number of 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid is 106865-02-5.
What is the molecular formula of 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid?
The molecular formula of 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid is C13H18O2.
What is the molecular weight of 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid?
The molecular weight of 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid is 206.13068 g/mol.
Where can I buy 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid?
You can request a quote for 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2,3-Dimethylphenyl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.