Isocarboxazid
TL;DR: Isocarboxazid (CAS 59-63-2) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide
Also Known As: isocarboxazid, Isocarboxazide, Enerzer, Marplan, Isocarbonazid
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.10077 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10077 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| Melting Point | 105-106 °C |
| Boiling Point | 394.5ºC at 760 mmHg |
| Solubility | Very slightly soluble in hot water |
| SMILES | CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2 |
| InChIKey | XKFPYPQQHFEXRZ-UHFFFAOYSA-N |
Product Description
Applications: Isocarboxazid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. 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, Isocarboxazid (CAS 59-63-2) has the molecular formula C12H13N3O2 and a molecular weight of 231.1 g/mol. Reported properties include a solubility: Very slightly soluble in hot water. Synonyms include isocarboxazid and Isocarboxazide.
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 Isocarboxazid
Property Insights of Isocarboxazid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocarboxazid. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocarboxazid. Following Lipinski's Rule of Five, Isocarboxazid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isocarboxazid?
The CAS number of Isocarboxazid is 59-63-2.
What is the molecular formula of Isocarboxazid?
The molecular formula of Isocarboxazid is C12H13N3O2.
What is the molecular weight of Isocarboxazid?
The molecular weight of Isocarboxazid is 231.10077 g/mol.
What are the applications of Isocarboxazid?
Isocarboxazid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. 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...
Where can I buy Isocarboxazid?
You can request a quote for Isocarboxazid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isocarboxazid?
Yes, CoreyChem provides custom synthesis services for Isocarboxazid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.