3,4,5-Trimethylisoxazole
TL;DR: 3,4,5-Trimethylisoxazole (CAS 10557-82-1) 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.
3,4,5-trimethyl-1,2-oxazole
Also Known As: 3,4,5-Trimethylisoxazole, Trimethylisoxazole, Isoxazole, trimethyl-, trimethyl-1,2-oxazole, 3,4,5-trimethyl-1,2-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 |
Chemical Identifiers
| CAS Number | 10557-82-1 |
|---|---|
| SMILES | CC1=C(ON=C1C)C |
| InChIKey | MGHKWBQZEBMFOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethylisoxazole (CAS 10557-82-1), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: 3,4,5-trimethyl-1,2-oxazole.
Chemical Property Profile of 3,4,5-Trimethylisoxazole
Property Insights of 3,4,5-Trimethylisoxazole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethylisoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 3,4,5-Trimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trimethylisoxazole 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 3,4,5-Trimethylisoxazole?
The CAS number of 3,4,5-Trimethylisoxazole is 10557-82-1.
What is the molecular formula of 3,4,5-Trimethylisoxazole?
The molecular formula of 3,4,5-Trimethylisoxazole is C6H9NO.
What is the molecular weight of 3,4,5-Trimethylisoxazole?
The molecular weight of 3,4,5-Trimethylisoxazole is 111.07 g/mol.
Where can I buy 3,4,5-Trimethylisoxazole?
You can request a quote for 3,4,5-Trimethylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.