3-methyl-2-(3-methylphenoxy)butanoic Acid
TL;DR: 3-methyl-2-(3-methylphenoxy)butanoic Acid (CAS 63403-11-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(3-methylphenoxy)butanoic acid
Also Known As: 3-methyl-2-(3-methylphenoxy)butanoic Acid, 3-Methyl-2-(m-tolyloxy)butanoic acid, alpha-m-tolyloxy-isovaleric acid, 3-Methyl-2-(m-tolyloxy)butanoicacid, Y-1891
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.48302 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 344.4754 |
Chemical Identifiers
| CAS Number | 63403-11-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(C(C)C)C(=O)O |
Product Overview
3-methyl-2-(3-methylphenoxy)butanoic Acid (CAS 63403-11-2), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 3-methyl-2-(3-methylphenoxy)butanoic acid.
Chemical Property Profile of 3-methyl-2-(3-methylphenoxy)butanoic Acid
Property Insights of 3-methyl-2-(3-methylphenoxy)butanoic Acid
The XLogP value of 2.48302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-2-(3-methylphenoxy)butanoic Acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-methyl-2-(3-methylphenoxy)butanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-2-(3-methylphenoxy)butanoic 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 3-methyl-2-(3-methylphenoxy)butanoic Acid?
The CAS number of 3-methyl-2-(3-methylphenoxy)butanoic Acid is 63403-11-2.
What is the molecular formula of 3-methyl-2-(3-methylphenoxy)butanoic Acid?
The molecular formula of 3-methyl-2-(3-methylphenoxy)butanoic Acid is C12H16O3.
What is the molecular weight of 3-methyl-2-(3-methylphenoxy)butanoic Acid?
The molecular weight of 3-methyl-2-(3-methylphenoxy)butanoic Acid is 208.11 g/mol.
Where can I buy 3-methyl-2-(3-methylphenoxy)butanoic Acid?
You can request a quote for 3-methyl-2-(3-methylphenoxy)butanoic 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-(3-methylphenoxy)butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2-(3-methylphenoxy)butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.