3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
TL;DR: 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 439094-20-9) 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-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate, (3,3-dimethyl-2-oxobutyl) 2-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate, 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxobenzo[c]azolidine-5-ca rboxylate, 3,3-Dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxylate
| Molecular Formula | C23H23NO5 |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 3.87604 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.15762 |
| Heavy Atoms | 29 |
| Complexity | 1025.4691 |
Chemical Identifiers
| CAS Number | 439094-20-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=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-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 439094-20-9), with molecular formula C23H23NO5 and molecular weight 393.16 g/mol. IUPAC: (3,3-dimethyl-2-oxobutyl) 2-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Property Insights of 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
The XLogP value of 3.87604 indicates that 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate 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-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate. Following Lipinski's Rule of Five, 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate 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-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The CAS number of 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 439094-20-9.
What is the molecular formula of 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular formula of 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is C23H23NO5.
What is the molecular weight of 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular weight of 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 393.16 g/mol.
Where can I buy 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
You can request a quote for 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate 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-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-2-oxobutyl 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.