Methyl 2-methyl-2-phenylbutanoate
TL;DR: Methyl 2-methyl-2-phenylbutanoate (CAS 62338-21-0) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-2-phenylbutanoate
Also Known As: Methyl 2-methyl-2-phenylbutanoate, Methyl 2-methyl-2-phenylbutanoate #, 2-Phenyl-2-methylbutanoic acid methyl ester, 2-methyl-2-phenyl-butyric acid methyl ester, Hydratropic acid, .alpha.-ethyl-, methyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 62338-21-0 |
|---|---|
| SMILES | CCC(C)(C1=CC=CC=C1)C(=O)OC |
| InChIKey | POYRKQFTRHJTMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methyl-2-phenylbutanoate (CAS 62338-21-0), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: methyl 2-methyl-2-phenylbutanoate.
Chemical Property Profile of Methyl 2-methyl-2-phenylbutanoate
Property Insights of Methyl 2-methyl-2-phenylbutanoate
The XLogP value of 3.0 indicates that Methyl 2-methyl-2-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-methyl-2-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methyl-2-phenylbutanoate has 0 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 Methyl 2-methyl-2-phenylbutanoate?
The CAS number of Methyl 2-methyl-2-phenylbutanoate is 62338-21-0.
What is the molecular formula of Methyl 2-methyl-2-phenylbutanoate?
The molecular formula of Methyl 2-methyl-2-phenylbutanoate is C12H16O2.
What is the molecular weight of Methyl 2-methyl-2-phenylbutanoate?
The molecular weight of Methyl 2-methyl-2-phenylbutanoate is 192.12 g/mol.
Where can I buy Methyl 2-methyl-2-phenylbutanoate?
You can request a quote for Methyl 2-methyl-2-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methyl-2-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-2-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.