4-(Isopropoxymethyl)-3,5-dimethylisoxazole
TL;DR: 4-(Isopropoxymethyl)-3,5-dimethylisoxazole (CAS 303985-54-8) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-(propan-2-yloxymethyl)-1,2-oxazole
Also Known As: 4-(isopropoxymethyl)-3,5-dimethylisoxazole, 11L-620S, 3,5-dimethyl-4-[(propan-2-yloxy)methyl]-1,2-oxazole, 4-(isopropoxymethyl)-3,5-dimethyl-isoxazole, 3,5-dimethyl-4-(propan-2-yloxymethyl)-1,2-oxazole
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 2.21644 |
| Topological Polar Surface Area | 35.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 233.53125 |
Chemical Identifiers
| CAS Number | 303985-54-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)COC(C)C |
Product Overview
4-(Isopropoxymethyl)-3,5-dimethylisoxazole (CAS 303985-54-8), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: 3,5-dimethyl-4-(propan-2-yloxymethyl)-1,2-oxazole.
Chemical Property Profile of 4-(Isopropoxymethyl)-3,5-dimethylisoxazole
Property Insights of 4-(Isopropoxymethyl)-3,5-dimethylisoxazole
The XLogP value of 2.21644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Isopropoxymethyl)-3,5-dimethylisoxazole. With a topological polar surface area (TPSA) of 35.26 Ų, 4-(Isopropoxymethyl)-3,5-dimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Isopropoxymethyl)-3,5-dimethylisoxazole has 0 hydrogen bond donor(s) and 3 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 4-(Isopropoxymethyl)-3,5-dimethylisoxazole?
The CAS number of 4-(Isopropoxymethyl)-3,5-dimethylisoxazole is 303985-54-8.
What is the molecular formula of 4-(Isopropoxymethyl)-3,5-dimethylisoxazole?
The molecular formula of 4-(Isopropoxymethyl)-3,5-dimethylisoxazole is C9H15NO2.
What is the molecular weight of 4-(Isopropoxymethyl)-3,5-dimethylisoxazole?
The molecular weight of 4-(Isopropoxymethyl)-3,5-dimethylisoxazole is 169.11 g/mol.
Where can I buy 4-(Isopropoxymethyl)-3,5-dimethylisoxazole?
You can request a quote for 4-(Isopropoxymethyl)-3,5-dimethylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Isopropoxymethyl)-3,5-dimethylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Isopropoxymethyl)-3,5-dimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.