Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
TL;DR: Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate (CAS 313392-10-8) is a chemical compound with molecular formula C17H12BrNO4 and molecular weight 372.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
Also Known As: benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate, benzyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate, benzyl 2-(5-bromo-1,3-dioxoisoindolin-2-yl)acetate, BENZYL 2-(5-BROMO-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ACETATE
| Molecular Formula | C17H12BrNO4 |
|---|---|
| Molecular Weight | 372.99 g/mol |
| LogP | 2.7885 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.99496 |
| Heavy Atoms | 23 |
| Complexity | 788.4353 |
Chemical Identifiers
| CAS Number | 313392-10-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br |
Product Overview
Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate (CAS 313392-10-8), with molecular formula C17H12BrNO4 and molecular weight 372.99 g/mol. IUPAC: benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
Property Insights of Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
The XLogP value of 2.7885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate. Following Lipinski's Rule of Five, Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate 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 Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate?
The CAS number of Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate is 313392-10-8.
What is the molecular formula of Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate?
The molecular formula of Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate is C17H12BrNO4.
What is the molecular weight of Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate?
The molecular weight of Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate is 372.99 g/mol.
Where can I buy Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate?
You can request a quote for Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.