3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate
TL;DR: 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate (CAS 153947-55-8) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
Also Known As: IDI1_023637, 3-pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate, 3-pyridyl 5-methyl-3-phenylisoxazole-4-carboxylate, pyridin-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate, BRD-K18837634-001-01-2
Technical Specifications
| Molecular Formula | C16H12N2O3 |
| Molecular Weight | 280.08478 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.08478 Da |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=CN=CC=C3 |
| InChIKey | JTUKUPPGKXAFGS-UHFFFAOYSA-N |
Chemical Property Profile of 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate
Property Insights of 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate. Following Lipinski's Rule of Five, 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate?
The CAS number of 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate is 153947-55-8.
What is the molecular formula of 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate?
The molecular formula of 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate is C16H12N2O3.
What is the molecular weight of 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate?
The molecular weight of 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate is 280.08478 g/mol.
Where can I buy 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate?
You can request a quote for 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate?
Yes, CoreyChem provides custom synthesis services for 3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.