Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate
TL;DR: Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate (CAS 30077-11-3) is a chemical compound with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chlorophenoxy)-2-methylbutanoate
Also Known As: Sgd 57-77, Ethyl (+-)-2-(4-chlorophenoxy)-2-methylbutanoate, ethyl 2-(4-chlorophenoxy)-2-methylbutanoate, 4-06-00-00855 (Beilstein Handbook Reference), Butanoic acid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester, (+-)
| Molecular Formula | C13H17ClO3 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 3.4506 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0866 |
| Heavy Atoms | 17 |
| Complexity | 374.7559 |
Chemical Identifiers
| CAS Number | 30077-11-3 |
|---|---|
| SMILES | CCC(C)(C(=O)OCC)OC1=CC=C(C=C1)Cl |
Product Overview
Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate (CAS 30077-11-3), with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol. IUPAC: ethyl 2-(4-chlorophenoxy)-2-methylbutanoate.
Chemical Property Profile of Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate
Property Insights of Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate
The XLogP value of 3.4506 indicates that Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate 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-(4-chlorophenoxy)-2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate 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-(4-chlorophenoxy)-2-methylbutanoate?
The CAS number of Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate is 30077-11-3.
What is the molecular formula of Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate?
The molecular formula of Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate is C13H17ClO3.
What is the molecular weight of Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate?
The molecular weight of Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate is 256.09 g/mol.
Where can I buy Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate?
You can request a quote for Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-chlorophenoxy)-2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.