Tert-butyl 2-methyl-2-phenylpropanoate
TL;DR: Tert-butyl 2-methyl-2-phenylpropanoate (CAS 29212-64-4) 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.
tert-butyl 2-methyl-2-phenylpropanoate
Also Known As: tert-butyl 2-methyl-2-phenylpropanoate, tert-butyl 2-methyl-2-phenylpropionate, 2-Methyl-2-phenylpropanoic acid tert-butyl ester, Benzeneacetic acid, a,a-dimethyl-, 1,1-dimethylethyl ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 29212-64-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C)(C)C1=CC=CC=C1 |
| InChIKey | SFYZTHTWCLEXHJ-UHFFFAOYSA-N |
Product Overview
Tert-butyl 2-methyl-2-phenylpropanoate (CAS 29212-64-4), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: tert-butyl 2-methyl-2-phenylpropanoate.
Chemical Property Profile of Tert-butyl 2-methyl-2-phenylpropanoate
Property Insights of Tert-butyl 2-methyl-2-phenylpropanoate
The XLogP value of 3.6 indicates that Tert-butyl 2-methyl-2-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 2-methyl-2-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-methyl-2-phenylpropanoate 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 Tert-butyl 2-methyl-2-phenylpropanoate?
The CAS number of Tert-butyl 2-methyl-2-phenylpropanoate is 29212-64-4.
What is the molecular formula of Tert-butyl 2-methyl-2-phenylpropanoate?
The molecular formula of Tert-butyl 2-methyl-2-phenylpropanoate is C14H20O2.
What is the molecular weight of Tert-butyl 2-methyl-2-phenylpropanoate?
The molecular weight of Tert-butyl 2-methyl-2-phenylpropanoate is 220.15 g/mol.
Where can I buy Tert-butyl 2-methyl-2-phenylpropanoate?
You can request a quote for Tert-butyl 2-methyl-2-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-methyl-2-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-methyl-2-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.