5-(1-Methylethyl)isoxazole
TL;DR: 5-(1-Methylethyl)isoxazole (CAS 5782-68-3) is a chemical compound with molecular formula C6H9NO and molecular weight 111.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propan-2-yl-1,2-oxazole
Also Known As: 5-isopropylisoxazole, 5-(1-Methylethyl)isoxazole, 5-propan-2-yl-1,2-oxazole, 5-(propan-2-yl)-1,2-oxazole, RefChem:299259
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | 1.798 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 143.57196 |
Chemical Identifiers
| CAS Number | 5782-68-3 |
|---|---|
| SMILES | CC(C)C1=CC=NO1 |
Product Overview
5-(1-Methylethyl)isoxazole (CAS 5782-68-3), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: 5-propan-2-yl-1,2-oxazole.
Chemical Property Profile of 5-(1-Methylethyl)isoxazole
Property Insights of 5-(1-Methylethyl)isoxazole
The XLogP value of 1.798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-Methylethyl)isoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 5-(1-Methylethyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1-Methylethyl)isoxazole has 0 hydrogen bond donor(s) and 2 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 5-(1-Methylethyl)isoxazole?
The CAS number of 5-(1-Methylethyl)isoxazole is 5782-68-3.
What is the molecular formula of 5-(1-Methylethyl)isoxazole?
The molecular formula of 5-(1-Methylethyl)isoxazole is C6H9NO.
What is the molecular weight of 5-(1-Methylethyl)isoxazole?
The molecular weight of 5-(1-Methylethyl)isoxazole is 111.07 g/mol.
Where can I buy 5-(1-Methylethyl)isoxazole?
You can request a quote for 5-(1-Methylethyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Methylethyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Methylethyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.