Methyl 3-methylisoxazole-5-carboxylate
TL;DR: Methyl 3-methylisoxazole-5-carboxylate (CAS 1004-96-2) is a chemical compound with molecular formula C6H7NO3 and molecular weight 141.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-methyl-1,2-oxazole-5-carboxylate
Also Known As: Methyl 3-methylisoxazole-5-carboxylate, methyl 3-methyl-1,2-oxazole-5-carboxylate, 5-isoxazolecarboxylic acid, 3-methyl-, methyl ester, methyl 3-methyl-5-isoxazolecarboxylate, 0210AA
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H7NO3 |
| Molecular Weight | 141.04259 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.04259 Da |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
| SMILES | CC1=NOC(=C1)C(=O)OC |
| InChIKey | MBRNUSBFRMCWIZ-UHFFFAOYSA-N |
Packaging: Sample packaging: 25g / 100g / 500g / 1kg foil pouches. Special products may require customized packaging — confirmed per inquiry.
Lead Time: Most products are manufactured to order; in-stock items are limited. Lead time varies by product — typically weeks to months — and is confirmed per inquiry.
Product Description
Applications: Methyl 3-methylisoxazole-5-carboxylate 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. CoreyChem supplies Methyl 3-methylisoxazole-5-carboxylate (CAS 1004-96-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Methyl 3-methylisoxazole-5-carboxylate (CAS 1004-96-2) is a heterocyclic building block with the molecular formula C6H7NO3 and a molecular weight of 141.04 g/mol. It is also known as Methyl 3-methylisoxazole-5-carboxylate and methyl 3-methyl-1,2-oxazole-5-carboxylate.
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 Methyl 3-methylisoxazole-5-carboxylate
Property Insights of Methyl 3-methylisoxazole-5-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methylisoxazole-5-carboxylate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 3-methylisoxazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methylisoxazole-5-carboxylate has 0 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 Methyl 3-methylisoxazole-5-carboxylate?
The CAS number of Methyl 3-methylisoxazole-5-carboxylate is 1004-96-2.
What is the molecular formula of Methyl 3-methylisoxazole-5-carboxylate?
The molecular formula of Methyl 3-methylisoxazole-5-carboxylate is C6H7NO3.
What is the molecular weight of Methyl 3-methylisoxazole-5-carboxylate?
The molecular weight of Methyl 3-methylisoxazole-5-carboxylate is 141.04259 g/mol.
What are the applications of Methyl 3-methylisoxazole-5-carboxylate?
Methyl 3-methylisoxazole-5-carboxylate 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. CoreyChem supplies Methyl...
Where can I buy Methyl 3-methylisoxazole-5-carboxylate?
You can request a quote for Methyl 3-methylisoxazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-methylisoxazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-methylisoxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.