Methyl p-tert-butylphenylacetate
TL;DR: Methyl p-tert-butylphenylacetate (CAS 33155-60-1) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-tert-butylphenyl)acetate
Also Known As: Methyl p-tert-butylphenylacetate, Methyl 4-tert-butylphenylacetate, Methyl 2-(4-(tert-butyl)phenyl)acetate, methyl 2-(4-tert-butylphenyl)acetate, FEMA No. 2690
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 33155-60-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CC(=O)OC |
| InChIKey | HXVTYMWVMVKVTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl p-tert-butylphenylacetate (CAS 33155-60-1), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: methyl 2-(4-tert-butylphenyl)acetate.
Chemical Property Profile of Methyl p-tert-butylphenylacetate
Property Insights of Methyl p-tert-butylphenylacetate
The XLogP value of 3.5 indicates that Methyl p-tert-butylphenylacetate 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 p-tert-butylphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl p-tert-butylphenylacetate 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 p-tert-butylphenylacetate?
The CAS number of Methyl p-tert-butylphenylacetate is 33155-60-1.
What is the molecular formula of Methyl p-tert-butylphenylacetate?
The molecular formula of Methyl p-tert-butylphenylacetate is C13H18O2.
What is the molecular weight of Methyl p-tert-butylphenylacetate?
The molecular weight of Methyl p-tert-butylphenylacetate is 206.13 g/mol.
Where can I buy Methyl p-tert-butylphenylacetate?
You can request a quote for Methyl p-tert-butylphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl p-tert-butylphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl p-tert-butylphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.