1-Ethyl-1-methyl-3-phenylpropyl acetate
TL;DR: 1-Ethyl-1-methyl-3-phenylpropyl acetate (CAS 92899-39-3) 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.
(3-methyl-1-phenylpentan-3-yl) acetate
Also Known As: tea acetate, 1-Ethyl-1-methyl-3-phenylpropyl acetate, 3-methyl-1-phenylpentan-3-yl acetate, (3-methyl-1-phenylpentan-3-yl) acetate, Phenethylmethylethylcarbinyl acetate
| 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 | 6 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 92899-39-3 |
|---|---|
| SMILES | CCC(C)(CCC1=CC=CC=C1)OC(=O)C |
| InChIKey | HIWRBTFSEFIZNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-1-methyl-3-phenylpropyl acetate (CAS 92899-39-3), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: (3-methyl-1-phenylpentan-3-yl) acetate.
Chemical Property Profile of 1-Ethyl-1-methyl-3-phenylpropyl acetate
Property Insights of 1-Ethyl-1-methyl-3-phenylpropyl acetate
The XLogP value of 3.6 indicates that 1-Ethyl-1-methyl-3-phenylpropyl acetate 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-Ethyl-1-methyl-3-phenylpropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-1-methyl-3-phenylpropyl acetate 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-Ethyl-1-methyl-3-phenylpropyl acetate?
The CAS number of 1-Ethyl-1-methyl-3-phenylpropyl acetate is 92899-39-3.
What is the molecular formula of 1-Ethyl-1-methyl-3-phenylpropyl acetate?
The molecular formula of 1-Ethyl-1-methyl-3-phenylpropyl acetate is C14H20O2.
What is the molecular weight of 1-Ethyl-1-methyl-3-phenylpropyl acetate?
The molecular weight of 1-Ethyl-1-methyl-3-phenylpropyl acetate is 220.15 g/mol.
Where can I buy 1-Ethyl-1-methyl-3-phenylpropyl acetate?
You can request a quote for 1-Ethyl-1-methyl-3-phenylpropyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-1-methyl-3-phenylpropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-1-methyl-3-phenylpropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.