Methyl 5-methyl-3-isoxazolepropanoate
TL;DR: Methyl 5-methyl-3-isoxazolepropanoate (CAS 91945-49-2) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(5-methyl-1,2-oxazol-3-yl)propanoate
Also Known As: Methyl 5-methyl-3-isoxazolepropanoate, methyl 3-(5-methylisoxazol-3-yl)propanoate, methyl 3-(5-methyl-1,2-oxazol-3-yl)propanoate, 5-Methyl-3-isoxazolepropanoic acid methyl ester, Methyl 3-(5-methyl-3-isoxazolyl)propanoate #
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 91945-49-2 |
|---|---|
| SMILES | CC1=CC(=NO1)CCC(=O)OC |
| InChIKey | SGVGMZHQKAEYKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-methyl-3-isoxazolepropanoate (CAS 91945-49-2), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: methyl 3-(5-methyl-1,2-oxazol-3-yl)propanoate.
Chemical Property Profile of Methyl 5-methyl-3-isoxazolepropanoate
Property Insights of Methyl 5-methyl-3-isoxazolepropanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-methyl-3-isoxazolepropanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 5-methyl-3-isoxazolepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-methyl-3-isoxazolepropanoate 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-methyl-3-isoxazolepropanoate?
The CAS number of Methyl 5-methyl-3-isoxazolepropanoate is 91945-49-2.
What is the molecular formula of Methyl 5-methyl-3-isoxazolepropanoate?
The molecular formula of Methyl 5-methyl-3-isoxazolepropanoate is C8H11NO3.
What is the molecular weight of Methyl 5-methyl-3-isoxazolepropanoate?
The molecular weight of Methyl 5-methyl-3-isoxazolepropanoate is 169.07 g/mol.
Where can I buy Methyl 5-methyl-3-isoxazolepropanoate?
You can request a quote for Methyl 5-methyl-3-isoxazolepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-methyl-3-isoxazolepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-methyl-3-isoxazolepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.