Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester
TL;DR: Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester (CAS 60012-91-1) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-butanoylphenoxy)-2-methylpropanoate
Also Known As: Ethyl 2-methyl-2-(4-(1-oxobutyl)phenoxy)propanoate, Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester, ethyl 2-(4-butanoylphenoxy)-2-methylpropanoate, 2-Methyl-2-(4-(1-oxobutyl)phenoxy)propanoic acid ethyl ester, BRN 1990060
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 3.3899 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 459.87015 |
Chemical Identifiers
| CAS Number | 60012-91-1 |
|---|---|
| SMILES | CCCC(=O)C1=CC=C(C=C1)OC(C)(C)C(=O)OCC |
Product Overview
Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester (CAS 60012-91-1), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: ethyl 2-(4-butanoylphenoxy)-2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester
Property Insights of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester
The XLogP value of 3.3899 indicates that Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester has 0 hydrogen bond donor(s) and 4 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 Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester?
The CAS number of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester is 60012-91-1.
What is the molecular formula of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester?
The molecular formula of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester is C16H22O4.
What is the molecular weight of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester?
The molecular weight of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester is 278.15 g/mol.
Where can I buy Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester?
You can request a quote for Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.