Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester
TL;DR: Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester (CAS 52161-02-1) is a chemical compound with molecular formula C19H19ClO5 and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybenzoate
Also Known As: Ethyl 4-(2'-(4''-chlorophenoxy)isobutyryloxy)benzoate, BENZOIC ACID, 4-(2-(4-CHLOROPHENOXY)-2-METHYL-1-OXOPROPOXY)-, ETHYL ESTER, 4-(2-(4-Chlorophenoxy)-2-methyl-1-oxopropoxy)benzoic acid ethyl ester, ethyl 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybenzoate, ETHYL 2-{[2-(4-CHLOROPHENOXY)-2-METHYLPROPANOYL]OXY}BENZOATE
| Molecular Formula | C19H19ClO5 |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.0921 |
| Heavy Atoms | 25 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 52161-02-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl |
| InChIKey | SLADYQWVRRILLV-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester (CAS 52161-02-1), with molecular formula C19H19ClO5 and molecular weight 362.09 g/mol. IUPAC: ethyl 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester
Property Insights of Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester
The XLogP value of 4.5 indicates that Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester has 0 hydrogen bond donor(s) and 5 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 Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester?
The CAS number of Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester is 52161-02-1.
What is the molecular formula of Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester?
The molecular formula of Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester is C19H19ClO5.
What is the molecular weight of Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester?
The molecular weight of Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester is 362.09 g/mol.
Where can I buy Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester?
You can request a quote for Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.