3-Methyl-2-phenoxybutanoic acid
TL;DR: 3-Methyl-2-phenoxybutanoic acid (CAS 13794-02-0) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-phenoxybutanoic acid
Also Known As: 3-methyl-2-phenoxybutanoic acid, alpha-phenoxy-isovaleric acid, 3-methyl-2-phenoxy-butanoic Acid, 3-methyl-2-phenoxybutanoicacid, 2-phenoxy-3-methylbutyric acid
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.1746 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 292.66077 |
Chemical Identifiers
| CAS Number | 13794-02-0 |
|---|---|
| SMILES | CC(C)C(C(=O)O)OC1=CC=CC=C1 |
Product Overview
3-Methyl-2-phenoxybutanoic acid (CAS 13794-02-0), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 3-methyl-2-phenoxybutanoic acid.
Chemical Property Profile of 3-Methyl-2-phenoxybutanoic acid
Property Insights of 3-Methyl-2-phenoxybutanoic acid
The XLogP value of 2.1746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-phenoxybutanoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Methyl-2-phenoxybutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-phenoxybutanoic 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-phenoxybutanoic acid?
The CAS number of 3-Methyl-2-phenoxybutanoic acid is 13794-02-0.
What is the molecular formula of 3-Methyl-2-phenoxybutanoic acid?
The molecular formula of 3-Methyl-2-phenoxybutanoic acid is C11H14O3.
What is the molecular weight of 3-Methyl-2-phenoxybutanoic acid?
The molecular weight of 3-Methyl-2-phenoxybutanoic acid is 194.09 g/mol.
Where can I buy 3-Methyl-2-phenoxybutanoic acid?
You can request a quote for 3-Methyl-2-phenoxybutanoic 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-phenoxybutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-phenoxybutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.