2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate
TL;DR: 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate (CAS 436122-69-9) is a chemical compound with molecular formula C19H18Cl2O3 and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-tert-butylbenzoate
Also Known As: 2-(3,4-dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate, AJ-292/41945473, [2-(3,4-dichlorophenyl)-2-oxoethyl] 4-tert-butylbenzoate, 2-(3,4-dichlorophenyl)-2-oxoethyl 4-(tert-butyl)benzoate
| Molecular Formula | C19H18Cl2O3 |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 5.3306 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.0633 |
| Heavy Atoms | 24 |
| Complexity | 759.17163 |
Chemical Identifiers
| CAS Number | 436122-69-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate (CAS 436122-69-9), with molecular formula C19H18Cl2O3 and molecular weight 364.06 g/mol. IUPAC: [2-(3,4-dichlorophenyl)-2-oxoethyl] 4-tert-butylbenzoate.
Chemical Property Profile of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate
Property Insights of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate
The XLogP value of 5.3306 indicates that 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate?
The CAS number of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate is 436122-69-9.
What is the molecular formula of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate?
The molecular formula of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate is C19H18Cl2O3.
What is the molecular weight of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate?
The molecular weight of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate is 364.06 g/mol.
Where can I buy 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate?
You can request a quote for 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.