Aceclofenac Tert-Butyl Ester
TL;DR: Aceclofenac Tert-Butyl Ester (CAS 139272-68-7) is a chemical compound with molecular formula C20H21Cl2NO4 and molecular weight 409.08478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
Also Known As: Aceclofenac Tert-Butyl Ester, Aceclofenac Impurity 5, Aceclofenac t-Butyl Ester, Aceclofenac Tert Butyl Ester, ACECLOFENAC IMPURITY 2
Technical Specifications
| Molecular Formula | C20H21Cl2NO4 |
| Molecular Weight | 409.08478 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.08478 Da |
| Heavy Atoms | 27 |
| Complexity | 499.0 |
| SMILES | CC(C)(C)OC(=O)COC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl |
| InChIKey | QIQFYYWKRUYDTH-UHFFFAOYSA-N |
Chemical Property Profile of Aceclofenac Tert-Butyl Ester
Property Insights of Aceclofenac Tert-Butyl Ester
The XLogP value of 5.6 indicates that Aceclofenac Tert-Butyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Aceclofenac Tert-Butyl Ester. Following Lipinski's Rule of Five, Aceclofenac Tert-Butyl Ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Aceclofenac Tert-Butyl Ester?
The CAS number of Aceclofenac Tert-Butyl Ester is 139272-68-7.
What is the molecular formula of Aceclofenac Tert-Butyl Ester?
The molecular formula of Aceclofenac Tert-Butyl Ester is C20H21Cl2NO4.
What is the molecular weight of Aceclofenac Tert-Butyl Ester?
The molecular weight of Aceclofenac Tert-Butyl Ester is 409.08478 g/mol.
Where can I buy Aceclofenac Tert-Butyl Ester?
You can request a quote for Aceclofenac Tert-Butyl Ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aceclofenac Tert-Butyl Ester?
Yes, CoreyChem provides custom synthesis services for Aceclofenac Tert-Butyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.