2-Ethyl-4,5-dihydro-4,4-dimethyloxazole
TL;DR: 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole (CAS 5146-88-3) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-4,4-dimethyl-5H-1,3-oxazole
Also Known As: 2-ETHYL-4,4-DIMETHYL-2-OXAZOLINE, 2-Ethyl-4,4-dimethyl-4,5-dihydrooxazole, 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole, 2-ethyl-4,4-dimethyl-5H-1,3-oxazole, 4,4-dimethyl-2-ethyl-2-oxazoline
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 5146-88-3 |
|---|---|
| SMILES | CCC1=NC(CO1)(C)C |
| InChIKey | FGURMUFTHTVTAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-4,5-dihydro-4,4-dimethyloxazole (CAS 5146-88-3), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: 2-ethyl-4,4-dimethyl-5H-1,3-oxazole.
Chemical Property Profile of 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole
Property Insights of 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole. With a topological polar surface area (TPSA) of 21.6 Ų, 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole 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-Ethyl-4,5-dihydro-4,4-dimethyloxazole?
The CAS number of 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole is 5146-88-3.
What is the molecular formula of 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole?
The molecular formula of 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole is C7H13NO.
What is the molecular weight of 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole?
The molecular weight of 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole is 127.10 g/mol.
Where can I buy 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole?
You can request a quote for 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-4,5-dihydro-4,4-dimethyloxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.