Ethyl 2-methyl-2-(4-methylphenoxy)butanoate
TL;DR: Ethyl 2-methyl-2-(4-methylphenoxy)butanoate (CAS 71547-87-0) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-2-(4-methylphenoxy)butanoate
Also Known As: Sgd 376-75, ethyl 2-methyl-2-(4-methylphenoxy)butanoate, Ethyl (+-)-2-methyl-2-(4-methylphenoxy)butanoate, Butanoic acid, 2-methyl-2-(4-methylphenoxy)-, ethyl ester, (+-)-, RefChem:1084809
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 3.10562 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 369.55865 |
Chemical Identifiers
| CAS Number | 71547-87-0 |
|---|---|
| SMILES | CCC(C)(C(=O)OCC)OC1=CC=C(C=C1)C |
Product Overview
Ethyl 2-methyl-2-(4-methylphenoxy)butanoate (CAS 71547-87-0), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: ethyl 2-methyl-2-(4-methylphenoxy)butanoate.
Chemical Property Profile of Ethyl 2-methyl-2-(4-methylphenoxy)butanoate
Property Insights of Ethyl 2-methyl-2-(4-methylphenoxy)butanoate
The XLogP value of 3.10562 indicates that Ethyl 2-methyl-2-(4-methylphenoxy)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 2-methyl-2-(4-methylphenoxy)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-2-(4-methylphenoxy)butanoate has 0 hydrogen bond donor(s) and 3 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-methyl-2-(4-methylphenoxy)butanoate?
The CAS number of Ethyl 2-methyl-2-(4-methylphenoxy)butanoate is 71547-87-0.
What is the molecular formula of Ethyl 2-methyl-2-(4-methylphenoxy)butanoate?
The molecular formula of Ethyl 2-methyl-2-(4-methylphenoxy)butanoate is C14H20O3.
What is the molecular weight of Ethyl 2-methyl-2-(4-methylphenoxy)butanoate?
The molecular weight of Ethyl 2-methyl-2-(4-methylphenoxy)butanoate is 236.14 g/mol.
Where can I buy Ethyl 2-methyl-2-(4-methylphenoxy)butanoate?
You can request a quote for Ethyl 2-methyl-2-(4-methylphenoxy)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-methyl-2-(4-methylphenoxy)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-2-(4-methylphenoxy)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.