Ibotenic Acid
TL;DR: Ibotenic Acid (CAS 2552-55-8) is a chemical compound with molecular formula C5H6N2O4 and molecular weight 158.03276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid
Also Known As: Ibotenic acid, Ibotenate, Amanita muscaria, DL-Ibotenic acid, (+/-)-Ibotenic acid
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H6N2O4 |
| Molecular Weight | 158.03276 g/mol |
| XLogP | -3.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.03276 Da |
| Heavy Atoms | 11 |
| Complexity | 235.0 |
| SMILES | C1=C(ONC1=O)C(C(=O)O)N |
| InChIKey | IRJCBFDCFXCWGO-UHFFFAOYSA-N |
Product Description
Applications: Ibotenic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
A pharmaceutical intermediate supplied by CoreyChem, Ibotenic Acid (CAS 2552-55-8) has the molecular formula C5H6N2O4 and a molecular weight of 158.03 g/mol. Synonyms include Ibotenic acid and Ibotenate.
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 Ibotenic Acid
Property Insights of Ibotenic Acid
The XLogP value of -3.9 indicates that Ibotenic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ibotenic Acid. Following Lipinski's Rule of Five, Ibotenic Acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ibotenic Acid?
The CAS number of Ibotenic Acid is 2552-55-8.
What is the molecular formula of Ibotenic Acid?
The molecular formula of Ibotenic Acid is C5H6N2O4.
What is the molecular weight of Ibotenic Acid?
The molecular weight of Ibotenic Acid is 158.03276 g/mol.
What are the applications of Ibotenic Acid?
Ibotenic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Ibotenic Acid?
You can request a quote for Ibotenic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ibotenic Acid?
Yes, CoreyChem provides custom synthesis services for Ibotenic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.