4,4-Dimethyl-2-oxazoline
TL;DR: 4,4-Dimethyl-2-oxazoline (CAS 30093-99-3) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-5H-1,3-oxazole
Also Known As: 4,4-Dimethyl-2-oxazoline, 4,4-Dimethyloxazoline, 4,4-dimethyl-5H-1,3-oxazole, DMOX, 4,5-Dihydro-4,4-dimethyloxazole
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 30093-99-3 |
|---|---|
| SMILES | CC1(COC=N1)C |
| InChIKey | KOAMXHRRVFDWRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethyl-2-oxazoline (CAS 30093-99-3), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: 4,4-dimethyl-5H-1,3-oxazole.
Chemical Property Profile of 4,4-Dimethyl-2-oxazoline
Property Insights of 4,4-Dimethyl-2-oxazoline
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-2-oxazoline. With a topological polar surface area (TPSA) of 21.6 Ų, 4,4-Dimethyl-2-oxazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-2-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 4,4-Dimethyl-2-oxazoline?
The CAS number of 4,4-Dimethyl-2-oxazoline is 30093-99-3.
What is the molecular formula of 4,4-Dimethyl-2-oxazoline?
The molecular formula of 4,4-Dimethyl-2-oxazoline is C5H9NO.
What is the molecular weight of 4,4-Dimethyl-2-oxazoline?
The molecular weight of 4,4-Dimethyl-2-oxazoline is 99.07 g/mol.
Where can I buy 4,4-Dimethyl-2-oxazoline?
You can request a quote for 4,4-Dimethyl-2-oxazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-2-oxazoline?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2-oxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.