Methyl 5-(tert-butyl)isoxazole-3-carboxylate
TL;DR: Methyl 5-(tert-butyl)isoxazole-3-carboxylate (CAS 517870-22-3) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-tert-butyl-1,2-oxazole-3-carboxylate
Also Known As: Methyl 5-(tert-butyl)isoxazole-3-carboxylate, methyl 5-tert-butyl-1,2-oxazole-3-carboxylate, Methyl 5-tert-butylisoxazole-3-carboxylate, Methyl-5-tert-butyl-3isoxazolecarboxylate, 5-TERT-BUTYL-ISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 1.7587 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 308.90488 |
Chemical Identifiers
| CAS Number | 517870-22-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NO1)C(=O)OC |
Product Overview
Methyl 5-(tert-butyl)isoxazole-3-carboxylate (CAS 517870-22-3), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: methyl 5-tert-butyl-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Methyl 5-(tert-butyl)isoxazole-3-carboxylate
Property Insights of Methyl 5-(tert-butyl)isoxazole-3-carboxylate
The XLogP value of 1.7587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(tert-butyl)isoxazole-3-carboxylate. With a topological polar surface area (TPSA) of 52.33 Ų, Methyl 5-(tert-butyl)isoxazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-(tert-butyl)isoxazole-3-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 5-(tert-butyl)isoxazole-3-carboxylate?
The CAS number of Methyl 5-(tert-butyl)isoxazole-3-carboxylate is 517870-22-3.
What is the molecular formula of Methyl 5-(tert-butyl)isoxazole-3-carboxylate?
The molecular formula of Methyl 5-(tert-butyl)isoxazole-3-carboxylate is C9H13NO3.
What is the molecular weight of Methyl 5-(tert-butyl)isoxazole-3-carboxylate?
The molecular weight of Methyl 5-(tert-butyl)isoxazole-3-carboxylate is 183.09 g/mol.
Where can I buy Methyl 5-(tert-butyl)isoxazole-3-carboxylate?
You can request a quote for Methyl 5-(tert-butyl)isoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(tert-butyl)isoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(tert-butyl)isoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.