2-甲基-2-(邻甲苯氧基)丙酸
TL;DR: 2-甲基-2-(邻甲苯氧基)丙酸 (CAS 53498-62-7) 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-甲基-2-(邻甲苯氧基)丙酸
2-methyl-2-(2-methylphenoxy)propanoic acid
Also Known As: 2-methyl-2-(2-methylphenoxy)propanoic acid, 2-Methyl-2-o-tolyloxy-propionic acid, 2-Methyl-2-(o-tolyloxy)propionic acid, Propionic acid, 2-methyl-2-(o-tolyloxy)-, 2-methyl-2-(o-tolyloxy)propanoic acid
| 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 | 53498-62-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(C)(C)C(=O)O |
| InChIKey | FTYMJPNQPCWPAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-2-(邻甲苯氧基)丙酸 (CAS 53498-62-7), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-methyl-2-(2-methylphenoxy)propanoic acid.
Chemical Property Profile of 2-甲基-2-(邻甲苯氧基)丙酸
Property Insights of 2-甲基-2-(邻甲苯氧基)丙酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-2-(邻甲苯氧基)丙酸. With a topological polar surface area (TPSA) of 46.5 Ų, 2-甲基-2-(邻甲苯氧基)丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-2-(邻甲苯氧基)丙酸 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 2-甲基-2-(邻甲苯氧基)丙酸?
The CAS number of 2-甲基-2-(邻甲苯氧基)丙酸 is 53498-62-7.
What is the molecular formula of 2-甲基-2-(邻甲苯氧基)丙酸?
The molecular formula of 2-甲基-2-(邻甲苯氧基)丙酸 is C11H14O3.
What is the molecular weight of 2-甲基-2-(邻甲苯氧基)丙酸?
The molecular weight of 2-甲基-2-(邻甲苯氧基)丙酸 is 194.09 g/mol.
Where can I buy 2-甲基-2-(邻甲苯氧基)丙酸?
You can request a quote for 2-甲基-2-(邻甲苯氧基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-2-(邻甲苯氧基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-2-(邻甲苯氧基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.