2,4,5-Trimethyl-3-oxazoline
TL;DR: 2,4,5-Trimethyl-3-oxazoline (CAS 22694-96-8) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
Also Known As: 2,4,5-TRIMETHYL-3-OXAZOLINE, peanut oxazole, 2,4,5-trimethyl-2,5-dihydro-1,3-oxazole, 2,5-Dihydro-2,4,5-trimethyloxazole, FEMA No. 3525
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 120.0 |
| Boiling Point | 125.00 to 127.00 °C. @ 760.00 mm Hg |
| Density | 0.913-0.920 |
| Solubility | slightly |
| Refractive Index | 1.413-1.421 |
Chemical Identifiers
| CAS Number | 22694-96-8 |
|---|---|
| SMILES | CC1C(=NC(O1)C)C |
| InChIKey | YFSGRMONVCFYTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trimethyl-3-oxazoline (CAS 22694-96-8), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: 2,4,5-trimethyl-2,5-dihydro-1,3-oxazole.
Chemical Property Profile of 2,4,5-Trimethyl-3-oxazoline
Property Insights of 2,4,5-Trimethyl-3-oxazoline
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trimethyl-3-oxazoline. With a topological polar surface area (TPSA) of 21.6 Ų, 2,4,5-Trimethyl-3-oxazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trimethyl-3-oxazoline 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-Trimethyl-3-oxazoline?
The CAS number of 2,4,5-Trimethyl-3-oxazoline is 22694-96-8.
What is the molecular formula of 2,4,5-Trimethyl-3-oxazoline?
The molecular formula of 2,4,5-Trimethyl-3-oxazoline is C6H11NO.
What is the molecular weight of 2,4,5-Trimethyl-3-oxazoline?
The molecular weight of 2,4,5-Trimethyl-3-oxazoline is 113.08 g/mol.
Where can I buy 2,4,5-Trimethyl-3-oxazoline?
You can request a quote for 2,4,5-Trimethyl-3-oxazoline 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-Trimethyl-3-oxazoline?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trimethyl-3-oxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.