Isatin
TL;DR: Isatin (CAS 91-56-5) is a chemical compound with molecular formula C8H5NO2 and molecular weight 147.03203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-indole-2,3-dione
Also Known As: Isatin, 1H-Indole-2,3-dione, Indoline-2,3-dione, 2,3-Indolinedione, Isatine
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5NO2 |
| Molecular Weight | 147.03203 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.03203 Da |
| Heavy Atoms | 11 |
| Complexity | 212.0 |
| Melting Point | 203 |
| Vapor Pressure | 0.0000111 [mmHg] |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)N2 |
| InChIKey | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
Product Description
Applications: Isatin 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).
Isatin (CAS 91-56-5) is a heterocyclic building block with the molecular formula C8H5NO2 and a molecular weight of 147.03 g/mol. Synonyms include Isatin and 1H-Indole-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 Isatin
Property Insights of Isatin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isatin. With a topological polar surface area (TPSA) of 46.2 Ų, Isatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isatin 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 Isatin?
The CAS number of Isatin is 91-56-5.
What is the molecular formula of Isatin?
The molecular formula of Isatin is C8H5NO2.
What is the molecular weight of Isatin?
The molecular weight of Isatin is 147.03203 g/mol.
What are the applications of Isatin?
Isatin 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...
Where can I buy Isatin?
You can request a quote for Isatin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isatin?
Yes, CoreyChem provides custom synthesis services for Isatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.