2-(3,5-Dimethylphenyl)ethyl isobutyrate
TL;DR: 2-(3,5-Dimethylphenyl)ethyl isobutyrate (CAS 94134-80-2) 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-(3,5-dimethylphenyl)ethyl 2-methylpropanoate
Also Known As: 2-(3,5-Dimethylphenyl)ethyl isobutyrate, EINECS 302-850-0, 2-(3,5-dimethylphenyl)ethyl 2-methylpropanoate, 2-(3,5-dimethylphenyl)ethylisobutyrate, 2-Methylpropionic acid 2-(3,5-dimethylphenyl)ethyl ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.04514 |
| 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 | 346.74814 |
Chemical Identifiers
| CAS Number | 94134-80-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)CCOC(=O)C(C)C)C |
Product Overview
2-(3,5-Dimethylphenyl)ethyl isobutyrate (CAS 94134-80-2), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 2-(3,5-dimethylphenyl)ethyl 2-methylpropanoate.
Chemical Property Profile of 2-(3,5-Dimethylphenyl)ethyl isobutyrate
Property Insights of 2-(3,5-Dimethylphenyl)ethyl isobutyrate
The XLogP value of 3.04514 indicates that 2-(3,5-Dimethylphenyl)ethyl 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, 2-(3,5-Dimethylphenyl)ethyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Dimethylphenyl)ethyl 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 2-(3,5-Dimethylphenyl)ethyl isobutyrate?
The CAS number of 2-(3,5-Dimethylphenyl)ethyl isobutyrate is 94134-80-2.
What is the molecular formula of 2-(3,5-Dimethylphenyl)ethyl isobutyrate?
The molecular formula of 2-(3,5-Dimethylphenyl)ethyl isobutyrate is C14H20O2.
What is the molecular weight of 2-(3,5-Dimethylphenyl)ethyl isobutyrate?
The molecular weight of 2-(3,5-Dimethylphenyl)ethyl isobutyrate is 220.15 g/mol.
Where can I buy 2-(3,5-Dimethylphenyl)ethyl isobutyrate?
You can request a quote for 2-(3,5-Dimethylphenyl)ethyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dimethylphenyl)ethyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dimethylphenyl)ethyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.