Propionic acid, 2-methyl-2-(m-tolyloxy)-
TL;DR: Propionic acid, 2-methyl-2-(m-tolyloxy)- (CAS 53498-64-9) 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.
2-methyl-2-(3-methylphenoxy)propanoic acid
Also Known As: 2-Methyl-2-(3-methylphenoxy)propanoic acid, Alliin, 2-methyl-2-(m-tolyloxy)propanoic acid, 2-Methyl-2-m-tolyloxy-propionic acid, 2-methyl-2- propanoicacid
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 53498-64-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(C)(C)C(=O)O |
| InChIKey | SURFMLIOSFSAPK-UHFFFAOYSA-N |
Product Overview
Propionic acid, 2-methyl-2-(m-tolyloxy)- (CAS 53498-64-9), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-methyl-2-(3-methylphenoxy)propanoic acid.
Chemical Property Profile of Propionic acid, 2-methyl-2-(m-tolyloxy)-
Property Insights of Propionic acid, 2-methyl-2-(m-tolyloxy)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 2-methyl-2-(m-tolyloxy)-. With a topological polar surface area (TPSA) of 46.5 Ų, Propionic acid, 2-methyl-2-(m-tolyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 2-methyl-2-(m-tolyloxy)- has 1 hydrogen bond donor(s) and 3 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 Propionic acid, 2-methyl-2-(m-tolyloxy)-?
The CAS number of Propionic acid, 2-methyl-2-(m-tolyloxy)- is 53498-64-9.
What is the molecular formula of Propionic acid, 2-methyl-2-(m-tolyloxy)-?
The molecular formula of Propionic acid, 2-methyl-2-(m-tolyloxy)- is C11H14O3.
What is the molecular weight of Propionic acid, 2-methyl-2-(m-tolyloxy)-?
The molecular weight of Propionic acid, 2-methyl-2-(m-tolyloxy)- is 194.09 g/mol.
Where can I buy Propionic acid, 2-methyl-2-(m-tolyloxy)-?
You can request a quote for Propionic acid, 2-methyl-2-(m-tolyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 2-methyl-2-(m-tolyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 2-methyl-2-(m-tolyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.