2-Isopropenyl-2-oxazoline
TL;DR: 2-Isopropenyl-2-oxazoline (CAS 10471-78-0) 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.
2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
Also Known As: 2-Isopropenyl-2-oxazoline, geldanamycin, isopropenyloxazoline, 2-isopropenyloxazoline, 3-Chlorophenylisocyanate
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 10471-78-0 |
|---|---|
| SMILES | CC(=C)C1=NCCO1 |
| InChIKey | LPIQIQPLUVLISR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropenyl-2-oxazoline (CAS 10471-78-0), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: 2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole.
Chemical Property Profile of 2-Isopropenyl-2-oxazoline
Property Insights of 2-Isopropenyl-2-oxazoline
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropenyl-2-oxazoline. With a topological polar surface area (TPSA) of 21.6 Ų, 2-Isopropenyl-2-oxazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropenyl-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 2-Isopropenyl-2-oxazoline?
The CAS number of 2-Isopropenyl-2-oxazoline is 10471-78-0.
What is the molecular formula of 2-Isopropenyl-2-oxazoline?
The molecular formula of 2-Isopropenyl-2-oxazoline is C6H9NO.
What is the molecular weight of 2-Isopropenyl-2-oxazoline?
The molecular weight of 2-Isopropenyl-2-oxazoline is 111.07 g/mol.
Where can I buy 2-Isopropenyl-2-oxazoline?
You can request a quote for 2-Isopropenyl-2-oxazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropenyl-2-oxazoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropenyl-2-oxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.