(1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate
TL;DR: (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate (CAS 98991-91-4) is a chemical compound with molecular formula C15H20BrNO4 and molecular weight 357.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate
Also Known As: (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate, (1,3-Dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate, (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethyl-butanoate
| Molecular Formula | C15H20BrNO4 |
|---|---|
| Molecular Weight | 357.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.05756 |
| Heavy Atoms | 21 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 98991-91-4 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)OCN1C(=O)C2=C(C1=O)CCCC2)Br |
| InChIKey | XWGXLZVVTJMVPO-UHFFFAOYSA-N |
Product Overview
(1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate (CAS 98991-91-4), with molecular formula C15H20BrNO4 and molecular weight 357.06 g/mol. IUPAC: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate.
Chemical Property Profile of (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate
Property Insights of (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate
The XLogP value of 3.7 indicates that (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate. Following Lipinski's Rule of Five, (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate has 0 hydrogen bond donor(s) and 4 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 (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate?
The CAS number of (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate is 98991-91-4.
What is the molecular formula of (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate?
The molecular formula of (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate is C15H20BrNO4.
What is the molecular weight of (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate?
The molecular weight of (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate is 357.06 g/mol.
Where can I buy (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate?
You can request a quote for (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2-bromo-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.