Isatoic Anhydride
TL;DR: Isatoic Anhydride (CAS 118-48-9) is a chemical compound with molecular formula C8H5NO3 and molecular weight 163.02695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-3,1-benzoxazine-2,4-dione
Also Known As: Isatoic anhydride, 1H-Benzo[d][1,3]oxazine-2,4-dione, 2H-3,1-Benzoxazine-2,4(1H)-dione, ISATOIC ACID ANHYDRIDE, Benzoxazinedione
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5NO3 |
| Molecular Weight | 163.02695 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.02695 Da |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
| Melting Point | 243 °C WITH DECOMPOSITION |
| Solubility | MISCIBLE IN WATER, HOT ALC, AND ACETONE; INSOL IN ETHER, BENZENE, AND CHLOROFORM |
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=O)N2 |
| InChIKey | TXJUTRJFNRYTHH-UHFFFAOYSA-N |
Product Description
Applications: Isatoic Anhydride 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).
Isatoic Anhydride (CAS 118-48-9) is a heterocyclic building block with the molecular formula C8H5NO3 and a molecular weight of 163.03 g/mol. Key physical properties include a solubility: MISCIBLE IN WATER, HOT ALC, AND ACETONE; INSOL IN ETHER, BENZENE, AND CHLOROFORM. Synonyms include Isatoic anhydride and 1H-Benzo[d][1,3]oxazine-2,4-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 Isatoic Anhydride
Property Insights of Isatoic Anhydride
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isatoic Anhydride. With a topological polar surface area (TPSA) of 55.4 Ų, Isatoic Anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isatoic Anhydride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isatoic Anhydride?
The CAS number of Isatoic Anhydride is 118-48-9.
What is the molecular formula of Isatoic Anhydride?
The molecular formula of Isatoic Anhydride is C8H5NO3.
What is the molecular weight of Isatoic Anhydride?
The molecular weight of Isatoic Anhydride is 163.02695 g/mol.
What are the applications of Isatoic Anhydride?
Isatoic Anhydride 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 Isatoic Anhydride?
You can request a quote for Isatoic Anhydride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isatoic Anhydride?
Yes, CoreyChem provides custom synthesis services for Isatoic Anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.