2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid
TL;DR: 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid (CAS 159302-03-1) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-2-propan-2-ylphenoxy)propanoic acid
Also Known As: 2-(2-isopropyl-5-methylphenoxy)propanoic acid, 2-[5-methyl-2-(propan-2-yl)phenoxy]propanoic acid, 2-(5-methyl-2-propan-2-ylphenoxy)propanoic acid, 2-(2-isopropyl-5-methylphenoxy)propionic acid, Propanoic acid, 2-[5-methyl-2-(1-methylethyl)phenoxy]-
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.97032 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 382.76413 |
Chemical Identifiers
| CAS Number | 159302-03-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(C)C(=O)O |
Product Overview
2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid (CAS 159302-03-1), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 2-(5-methyl-2-propan-2-ylphenoxy)propanoic acid.
Chemical Property Profile of 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid
Property Insights of 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid
The XLogP value of 2.97032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic 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 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid?
The CAS number of 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid is 159302-03-1.
What is the molecular formula of 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid?
The molecular formula of 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid is C13H18O3.
What is the molecular weight of 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid?
The molecular weight of 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid is 222.13 g/mol.
Where can I buy 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid?
You can request a quote for 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Methyl-2-(propan-2-yl)phenoxy)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.