Ethyl 2-(p-tolyl)butanoate
TL;DR: Ethyl 2-(p-tolyl)butanoate (CAS 58929-94-5) 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.
ethyl 2-(4-methylphenyl)butanoate
Also Known As: ethyl 2-(p-tolyl)butanoate, ethyl 2-(4-methylphenyl)butanoate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.05172 |
| 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 | 313.81277 |
Chemical Identifiers
| CAS Number | 58929-94-5 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)C)C(=O)OCC |
Product Overview
Ethyl 2-(p-tolyl)butanoate (CAS 58929-94-5), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: ethyl 2-(4-methylphenyl)butanoate.
Chemical Property Profile of Ethyl 2-(p-tolyl)butanoate
Property Insights of Ethyl 2-(p-tolyl)butanoate
The XLogP value of 3.05172 indicates that Ethyl 2-(p-tolyl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-(p-tolyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(p-tolyl)butanoate 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 Ethyl 2-(p-tolyl)butanoate?
The CAS number of Ethyl 2-(p-tolyl)butanoate is 58929-94-5.
What is the molecular formula of Ethyl 2-(p-tolyl)butanoate?
The molecular formula of Ethyl 2-(p-tolyl)butanoate is C13H18O2.
What is the molecular weight of Ethyl 2-(p-tolyl)butanoate?
The molecular weight of Ethyl 2-(p-tolyl)butanoate is 206.13 g/mol.
Where can I buy Ethyl 2-(p-tolyl)butanoate?
You can request a quote for Ethyl 2-(p-tolyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(p-tolyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(p-tolyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.