TL;DR: 7-phenyl-5,7-dihydro-4H-pyrano[3,4-c][1,2]oxazole (CAS 157024-27-6) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-phenyl-5,7-dihydro-4H-pyrano[3,4-c][1,2]oxazole
Also Known As: 7-phenyl-5,7-dihydro-4H-pyrano[3,4-c]isoxazole, J1.440.753G, 7-Phenyl-4,5-dihydro-7H-pyrano[3,4-c]isoxazole, 7-phenyl-4H,5H,7H-pyrano[3,4-c][1,2]oxazole, 2-phenyl-3,8-dioxa-9-azabicyclo[4.3.0]nona-6,9-diene
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.07898 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.07898 Da |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
| SMILES | C1COC(C2=NOC=C21)C3=CC=CC=C3 |
| InChIKey | VWBXRZXOUQMJEM-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-phenyl-5,7-dihydro-4H-pyrano[3,4-c][1,2]oxazole. With a topological polar surface area (TPSA) of 35.3 Ų, 7-phenyl-5,7-dihydro-4H-pyrano[3,4-c][1,2]oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-phenyl-5,7-dihydro-4H-pyrano[3,4-c][1,2]oxazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-phenyl-5,7-dihydro-4H-pyrano[3,4-c][1,2]oxazole is 157024-27-6.
The molecular formula of 7-phenyl-5,7-dihydro-4H-pyrano[3,4-c][1,2]oxazole is C12H11NO2.
The molecular weight of 7-phenyl-5,7-dihydro-4H-pyrano[3,4-c][1,2]oxazole is 201.07898 g/mol.
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