3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
TL;DR: 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate (CAS 434296-44-3) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2-oxobutyl) 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
Also Known As: 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate, (3,3-dimethyl-2-oxobutyl) 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate, 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate, 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-4,7,3a,7a-tetrahydroisoindol-2-yl)benzoat e
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 2.9142 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 807.2189 |
Chemical Identifiers
| CAS Number | 434296-44-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)N2C(=O)C3CC=CCC3C2=O |
Product Overview
3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate (CAS 434296-44-3), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: (3,3-dimethyl-2-oxobutyl) 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate.
Chemical Property Profile of 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Property Insights of 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
The XLogP value of 2.9142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 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 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The CAS number of 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is 434296-44-3.
What is the molecular formula of 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The molecular formula of 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is C21H23NO5.
What is the molecular weight of 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The molecular weight of 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is 369.16 g/mol.
Where can I buy 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
You can request a quote for 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 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 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-2-oxobutyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.