3-Methyl-2-(ortho-tolyl)-butyric acid
TL;DR: 3-Methyl-2-(ortho-tolyl)-butyric acid (CAS 98841-71-5) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(2-methylphenyl)butanoic acid
Also Known As: 3-methyl-2-(2-methylphenyl)butanoic Acid, 3-Methyl-2-(o-tolyl)butanoic acid, 2-(2-methylphenyl)-3-methylbutanoic acid, 3-METHYL-2-(ORTHO-TOLYL)-BUTYRIC ACID, Benzeneacetic acid, 2-methyl-alpha-(1-methylethyl)-
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.81922 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 328.84854 |
Chemical Identifiers
| CAS Number | 98841-71-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C(C(C)C)C(=O)O |
Product Overview
3-Methyl-2-(ortho-tolyl)-butyric acid (CAS 98841-71-5), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 3-methyl-2-(2-methylphenyl)butanoic acid.
Chemical Property Profile of 3-Methyl-2-(ortho-tolyl)-butyric acid
Property Insights of 3-Methyl-2-(ortho-tolyl)-butyric acid
The XLogP value of 2.81922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-(ortho-tolyl)-butyric acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methyl-2-(ortho-tolyl)-butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-(ortho-tolyl)-butyric 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-Methyl-2-(ortho-tolyl)-butyric acid?
The CAS number of 3-Methyl-2-(ortho-tolyl)-butyric acid is 98841-71-5.
What is the molecular formula of 3-Methyl-2-(ortho-tolyl)-butyric acid?
The molecular formula of 3-Methyl-2-(ortho-tolyl)-butyric acid is C12H16O2.
What is the molecular weight of 3-Methyl-2-(ortho-tolyl)-butyric acid?
The molecular weight of 3-Methyl-2-(ortho-tolyl)-butyric acid is 192.12 g/mol.
Where can I buy 3-Methyl-2-(ortho-tolyl)-butyric acid?
You can request a quote for 3-Methyl-2-(ortho-tolyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-(ortho-tolyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-(ortho-tolyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.