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 141.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, Methyl3-methylisoxazole-5-carboxylate
| Molecular Formula | C6H7NO3 |
|---|---|
| Molecular Weight | 141.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.04259 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 1004-96-2 |
|---|---|
| SMILES | CC1=NOC(=C1)C(=O)OC |
| InChIKey | MBRNUSBFRMCWIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-methylisoxazole-5-carboxylate (CAS 1004-96-2), with molecular formula C6H7NO3 and molecular weight 141.04 g/mol. IUPAC: methyl 3-methyl-1,2-oxazole-5-carboxylate.
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
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 141.04 g/mol.
Where can I buy Methyl 3-methylisoxazole-5-carboxylate?
You can request a quote for Methyl 3-methylisoxazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methylisoxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methylisoxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.