4-Isopropylidene-2-phenyl-5(4H)-oxazole
TL;DR: 4-Isopropylidene-2-phenyl-5(4H)-oxazole (CAS 4491-47-8) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-4-propan-2-ylidene-1,3-oxazol-5-one
Also Known As: ChemDiv3_013037, 2-phenyl-4-propan-2-ylidene-1,3-oxazol-5-one, 2-Oxazolin-5-one, 4-isopropylidene-2-phenyl-, 2-phenyl-4-(propan-2-ylidene)oxazol-5(4H)-one, 2-phenyl-4-isopropylidene-5-oxazolone
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 4491-47-8 |
|---|---|
| SMILES | CC(=C1C(=O)OC(=N1)C2=CC=CC=C2)C |
| InChIKey | FSYXZIPYOMWJOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylidene-2-phenyl-5(4H)-oxazole (CAS 4491-47-8), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 2-phenyl-4-propan-2-ylidene-1,3-oxazol-5-one.
Chemical Property Profile of 4-Isopropylidene-2-phenyl-5(4H)-oxazole
Property Insights of 4-Isopropylidene-2-phenyl-5(4H)-oxazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropylidene-2-phenyl-5(4H)-oxazole. With a topological polar surface area (TPSA) of 38.7 Ų, 4-Isopropylidene-2-phenyl-5(4H)-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylidene-2-phenyl-5(4H)-oxazole 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-Isopropylidene-2-phenyl-5(4H)-oxazole?
The CAS number of 4-Isopropylidene-2-phenyl-5(4H)-oxazole is 4491-47-8.
What is the molecular formula of 4-Isopropylidene-2-phenyl-5(4H)-oxazole?
The molecular formula of 4-Isopropylidene-2-phenyl-5(4H)-oxazole is C12H11NO2.
What is the molecular weight of 4-Isopropylidene-2-phenyl-5(4H)-oxazole?
The molecular weight of 4-Isopropylidene-2-phenyl-5(4H)-oxazole is 201.08 g/mol.
Where can I buy 4-Isopropylidene-2-phenyl-5(4H)-oxazole?
You can request a quote for 4-Isopropylidene-2-phenyl-5(4H)-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylidene-2-phenyl-5(4H)-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylidene-2-phenyl-5(4H)-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.