Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester
TL;DR: Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester (CAS 52160-88-0) is a chemical compound with molecular formula C21H23ClO5 and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybenzoate
Also Known As: Butyl 2-(2'-(4''-chlorophenoxy)isobutyryloxy)benzoate, BENZOIC ACID, 2-(2-(4-CHLOROPHENOXY)-2-METHYL-1-OXOPROPOXY)-, BUTYL ESTER, 2-(2-(4-Chlorophenoxy)-2-methyl-1-oxopropoxy)benzoic acid butyl ester, butyl 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybenzoate, Butyl 2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}benzoate
| Molecular Formula | C21H23ClO5 |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 390.1234 |
| Heavy Atoms | 27 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 52160-88-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC=C1OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl |
| InChIKey | AMWSXBGXDAYRFW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester (CAS 52160-88-0), with molecular formula C21H23ClO5 and molecular weight 390.12 g/mol. IUPAC: butyl 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybenzoate.
Chemical Property Profile of Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester
Property Insights of Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester
The XLogP value of 5.7 indicates that Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl 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, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester?
The CAS number of Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester is 52160-88-0.
What is the molecular formula of Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester?
The molecular formula of Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester is C21H23ClO5.
What is the molecular weight of Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester?
The molecular weight of Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester is 390.12 g/mol.
Where can I buy Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester?
You can request a quote for Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl 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, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.