Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate
TL;DR: Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate (CAS 130755-76-9) is a chemical compound with molecular formula C15H16BrNO4 and molecular weight 353.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-bromo-4-(1,3-dioxoisoindol-2-yl)butanoate
Also Known As: Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate, Isopropyl2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate, propan-2-yl 2-bromo-4-(1,3-dioxoisoindol-2-yl)butanoate, Isopropyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate, Isopropyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate #
| Molecular Formula | C15H16BrNO4 |
|---|---|
| Molecular Weight | 353.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.02628 |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 130755-76-9 |
|---|---|
| SMILES | CC(C)OC(=O)C(CCN1C(=O)C2=CC=CC=C2C1=O)Br |
| InChIKey | LLBGGTDJNGEUJJ-UHFFFAOYSA-N |
Product Overview
Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate (CAS 130755-76-9), with molecular formula C15H16BrNO4 and molecular weight 353.03 g/mol. IUPAC: propan-2-yl 2-bromo-4-(1,3-dioxoisoindol-2-yl)butanoate.
Chemical Property Profile of Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate
Property Insights of Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate
The XLogP value of 3.4 indicates that Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate 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 Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate. Following Lipinski's Rule of Five, Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate 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 Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate?
The CAS number of Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate is 130755-76-9.
What is the molecular formula of Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate?
The molecular formula of Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate is C15H16BrNO4.
What is the molecular weight of Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate?
The molecular weight of Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate is 353.03 g/mol.
Where can I buy Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate?
You can request a quote for Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-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 Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.