2,4,5-Trimethyloxazole
TL;DR: 2,4,5-Trimethyloxazole (CAS 20662-84-4) 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.
2,4,5-trimethyl-1,3-oxazole
Also Known As: 2,4,5-TRIMETHYLOXAZOLE, Trimethyloxazole, Oxazole, trimethyl-, Oxazole, 2,4,5-trimethyl-, 2,4,5-Trimethyl-1,3-oxazole
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
| Boiling Point | 133.00 to 134.00 °C. @ 760.00 mm Hg |
| Density | 0.956-0.964 |
| Solubility | Insoluble in water |
| Refractive Index | 1.438-1.446 |
Chemical Identifiers
| CAS Number | 20662-84-4 |
|---|---|
| SMILES | CC1=C(OC(=N1)C)C |
| InChIKey | ZRLDBDZSLLGDOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trimethyloxazole (CAS 20662-84-4), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: 2,4,5-trimethyl-1,3-oxazole.
Chemical Property Profile of 2,4,5-Trimethyloxazole
Property Insights of 2,4,5-Trimethyloxazole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trimethyloxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 2,4,5-Trimethyloxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trimethyloxazole 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 2,4,5-Trimethyloxazole?
The CAS number of 2,4,5-Trimethyloxazole is 20662-84-4.
What is the molecular formula of 2,4,5-Trimethyloxazole?
The molecular formula of 2,4,5-Trimethyloxazole is C6H9NO.
What is the molecular weight of 2,4,5-Trimethyloxazole?
The molecular weight of 2,4,5-Trimethyloxazole is 111.07 g/mol.
Where can I buy 2,4,5-Trimethyloxazole?
You can request a quote for 2,4,5-Trimethyloxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trimethyloxazole?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trimethyloxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.