2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
TL;DR: 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate (CAS 352219-33-1) is a chemical compound with molecular formula C21H14Cl5NO5 and molecular weight 534.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoate
Also Known As: 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate, [2-(4-chlorophenyl)-2-oxoethyl] 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoate
| Molecular Formula | C21H14Cl5NO5 |
|---|---|
| Molecular Weight | 534.93 g/mol |
| LogP | 6.0003 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.93146 |
| Heavy Atoms | 32 |
| Complexity | 1099.5048 |
Chemical Identifiers
| CAS Number | 352219-33-1 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)Cl)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl |
Product Overview
2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate (CAS 352219-33-1), with molecular formula C21H14Cl5NO5 and molecular weight 534.93 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoate.
Chemical Property Profile of 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
Property Insights of 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
The XLogP value of 6.0003 indicates that 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate 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 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
The CAS number of 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate is 352219-33-1.
What is the molecular formula of 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
The molecular formula of 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate is C21H14Cl5NO5.
What is the molecular weight of 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
The molecular weight of 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate is 534.93 g/mol.
Where can I buy 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
You can request a quote for 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-2-oxoethyl 3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.