3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate
TL;DR: 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate (CAS 439092-24-7) is a chemical compound with molecular formula C23H23NO5 and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2-oxobutyl) 2-(2-ethylphenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: AJ-292/41945023, 3,3-dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate, (3,3-dimethyl-2-oxobutyl) 2-(2-ethylphenyl)-1,3-dioxoisoindole-5-carboxylate, 3,3-dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxoisoindoline-5-carboxylate, 3,3-dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C23H23NO5 |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 3.8216 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.15762 |
| Heavy Atoms | 29 |
| Complexity | 1016.1685 |
Chemical Identifiers
| CAS Number | 439092-24-7 |
|---|---|
| SMILES | CCC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C(C)(C)C |
Product Overview
3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate (CAS 439092-24-7), with molecular formula C23H23NO5 and molecular weight 393.16 g/mol. IUPAC: (3,3-dimethyl-2-oxobutyl) 2-(2-ethylphenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate
Property Insights of 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate
The XLogP value of 3.8216 indicates that 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate 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 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate 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 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The CAS number of 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate is 439092-24-7.
What is the molecular formula of 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The molecular formula of 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate is C23H23NO5.
What is the molecular weight of 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The molecular weight of 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate is 393.16 g/mol.
Where can I buy 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate?
You can request a quote for 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-2-oxobutyl 2-(2-ethylphenyl)-1,3-dioxo-5-isoindolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.