Isoxazole, 4,5-dihydro-3-phenyl-
TL;DR: Isoxazole, 4,5-dihydro-3-phenyl- (CAS 14397-33-2) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4,5-dihydro-1,2-oxazole
Also Known As: 3-phenyl-2-isoxazoline, 3-phenyl-4,5-dihydro-1,2-oxazole, 3-phenyl-4,5-dihydroisoxazole, Isoxazole, 4,5-dihydro-3-phenyl-, 4,5-Dihydro-3-phenylisoxazole
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.811 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 266.15103 |
Chemical Identifiers
| CAS Number | 14397-33-2 |
|---|---|
| SMILES | C1CON=C1C2=CC=CC=C2 |
Product Overview
Isoxazole, 4,5-dihydro-3-phenyl- (CAS 14397-33-2), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 3-phenyl-4,5-dihydro-1,2-oxazole.
Chemical Property Profile of Isoxazole, 4,5-dihydro-3-phenyl-
Property Insights of Isoxazole, 4,5-dihydro-3-phenyl-
The XLogP value of 1.811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole, 4,5-dihydro-3-phenyl-. With a topological polar surface area (TPSA) of 21.59 Ų, Isoxazole, 4,5-dihydro-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 4,5-dihydro-3-phenyl- 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 Isoxazole, 4,5-dihydro-3-phenyl-?
The CAS number of Isoxazole, 4,5-dihydro-3-phenyl- is 14397-33-2.
What is the molecular formula of Isoxazole, 4,5-dihydro-3-phenyl-?
The molecular formula of Isoxazole, 4,5-dihydro-3-phenyl- is C9H9NO.
What is the molecular weight of Isoxazole, 4,5-dihydro-3-phenyl-?
The molecular weight of Isoxazole, 4,5-dihydro-3-phenyl- is 147.07 g/mol.
Where can I buy Isoxazole, 4,5-dihydro-3-phenyl-?
You can request a quote for Isoxazole, 4,5-dihydro-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 4,5-dihydro-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 4,5-dihydro-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.