Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester
TL;DR: Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester (CAS 588679-11-2) is a chemical compound with molecular formula C12H14BrClO3 and molecular weight 319.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-bromo-2-chlorophenoxy)-2-methylpropanoate
Also Known As: ethyl 2-(4-bromo-2-chlorophenoxy)-2-methylpropanoate, Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester, Ethyl 2-(4-bromo-2-chloro-phenoxy)-2-methyl-propanoate, RefChem:374698
| Molecular Formula | C12H14BrClO3 |
|---|---|
| Molecular Weight | 319.98 g/mol |
| LogP | 3.823 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.98148 |
| Heavy Atoms | 17 |
| Complexity | 418.21182 |
Chemical Identifiers
| CAS Number | 588679-11-2 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC1=C(C=C(C=C1)Br)Cl |
Product Overview
Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester (CAS 588679-11-2), with molecular formula C12H14BrClO3 and molecular weight 319.98 g/mol. IUPAC: ethyl 2-(4-bromo-2-chlorophenoxy)-2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester
Property Insights of Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester
The XLogP value of 3.823 indicates that Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester 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 Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester?
The CAS number of Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester is 588679-11-2.
What is the molecular formula of Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester?
The molecular formula of Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester is C12H14BrClO3.
What is the molecular weight of Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester?
The molecular weight of Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester is 319.98 g/mol.
Where can I buy Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester?
You can request a quote for Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, 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-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-(4-bromo-2-chlorophenoxy)-2-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.