5-Bromoisatin
TL;DR: 5-Bromoisatin (CAS 87-48-9) is a chemical compound with molecular formula C8H4BrNO2 and molecular weight 224.94254 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-1H-indole-2,3-dione
Also Known As: 5-Bromoisatin, 5-Bromoindoline-2,3-dione, 5-Bromo-1H-indole-2,3-dione, 5-Bromoindole-2,3-dione, 5-Bromisatin
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H4BrNO2 |
| Molecular Weight | 224.94254 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.94254 Da |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
| SMILES | C1=CC2=C(C=C1Br)C(=O)C(=O)N2 |
| InChIKey | MBVCESWADCIXJN-UHFFFAOYSA-N |
Product Description
Applications: 5-Bromoisatin is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
5-Bromoisatin is a heterocyclic building block identified by CAS number 87-48-9 and the molecular formula C8H4BrNO2 and a molecular weight of 224.94 g/mol. Synonyms include 5-Bromoisatin and 5-Bromoindoline-2,3-dione.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-Bromoisatin
Property Insights of 5-Bromoisatin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromoisatin. With a topological polar surface area (TPSA) of 46.2 Ų, 5-Bromoisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromoisatin has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Bromoisatin?
The CAS number of 5-Bromoisatin is 87-48-9.
What is the molecular formula of 5-Bromoisatin?
The molecular formula of 5-Bromoisatin is C8H4BrNO2.
What is the molecular weight of 5-Bromoisatin?
The molecular weight of 5-Bromoisatin is 224.94254 g/mol.
What are the applications of 5-Bromoisatin?
5-Bromoisatin is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 5-Bromoisatin?
You can request a quote for 5-Bromoisatin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromoisatin?
Yes, CoreyChem provides custom synthesis services for 5-Bromoisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.