3-(3,5-Dimethylphenyl)-3-methylbutanoic acid
TL;DR: 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid (CAS 53987-64-7) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethylphenyl)-3-methylbutanoic acid
Also Known As: 3-(3,5-dimethylphenyl)-3-methylbutanoic acid, 3-(3,5-dimethylphenyl)-3-methyl-butanoic Acid, 3-(3,5-DIMETHYL-PHENYL)-3-METHYL-BUTYRIC ACID
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.05574 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 357.87238 |
Chemical Identifiers
| CAS Number | 53987-64-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(C)(C)CC(=O)O)C |
Product Overview
3-(3,5-Dimethylphenyl)-3-methylbutanoic acid (CAS 53987-64-7), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 3-(3,5-dimethylphenyl)-3-methylbutanoic acid.
Chemical Property Profile of 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid
Property Insights of 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid
The XLogP value of 3.05574 indicates that 3-(3,5-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, 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid has 1 hydrogen bond donor(s) and 1 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 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid?
The CAS number of 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid is 53987-64-7.
What is the molecular formula of 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid?
The molecular formula of 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid is C13H18O2.
What is the molecular weight of 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid?
The molecular weight of 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid is 206.13 g/mol.
Where can I buy 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid?
You can request a quote for 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Dimethylphenyl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.