1,1-Dimethyl-2-phenylethyl isobutyrate
TL;DR: 1,1-Dimethyl-2-phenylethyl isobutyrate (CAS 59354-71-1) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1-phenylpropan-2-yl) 2-methylpropanoate
Also Known As: dimethyl benzyl carbinyl isobutyrate, 1,1-Dimethyl-2-phenylethyl isobutyrate, Dimethylbenzyl carbinol isobutyrate, 2-methyl-1-phenylpropan-2-yl 2-methylpropanoate, 2-Benzyl-2-propyl isobutyrate
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 59354-71-1 |
|---|---|
| SMILES | CC(C)C(=O)OC(C)(C)CC1=CC=CC=C1 |
| InChIKey | KOEHGIXXSWVEPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethyl-2-phenylethyl isobutyrate (CAS 59354-71-1), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: (2-methyl-1-phenylpropan-2-yl) 2-methylpropanoate.
Chemical Property Profile of 1,1-Dimethyl-2-phenylethyl isobutyrate
Property Insights of 1,1-Dimethyl-2-phenylethyl isobutyrate
The XLogP value of 3.7 indicates that 1,1-Dimethyl-2-phenylethyl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,1-Dimethyl-2-phenylethyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-2-phenylethyl isobutyrate 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 1,1-Dimethyl-2-phenylethyl isobutyrate?
The CAS number of 1,1-Dimethyl-2-phenylethyl isobutyrate is 59354-71-1.
What is the molecular formula of 1,1-Dimethyl-2-phenylethyl isobutyrate?
The molecular formula of 1,1-Dimethyl-2-phenylethyl isobutyrate is C14H20O2.
What is the molecular weight of 1,1-Dimethyl-2-phenylethyl isobutyrate?
The molecular weight of 1,1-Dimethyl-2-phenylethyl isobutyrate is 220.15 g/mol.
Where can I buy 1,1-Dimethyl-2-phenylethyl isobutyrate?
You can request a quote for 1,1-Dimethyl-2-phenylethyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-2-phenylethyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-2-phenylethyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.