1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole
TL;DR: 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole (CAS 139087-90-4) is a chemical compound with molecular formula C17H13N5O and molecular weight 303.112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-(4-methylphenyl)tetrazol-5-yl]-5-phenyl-1,2-oxazole
Also Known As: 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole, 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-phenyl-1,2-oxazole, 1-(4-methylphenyl)-5-(5-phenyl-1,2-oxazol-4-yl)tetrazole, 4-[1-(4-methylphenyl)(1,2,3,4-tetraazol-5-yl)]-5-phenylisoxazole
Technical Specifications
| Molecular Formula | C17H13N5O |
| Molecular Weight | 303.112 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.112 Da |
| Heavy Atoms | 23 |
| Complexity | 381.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=NN=N2)C3=C(ON=C3)C4=CC=CC=C4 |
| InChIKey | JQLYUXCZWCVDPT-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole
Property Insights of 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole
The XLogP value of 3.4 indicates that 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole. Following Lipinski's Rule of Five, 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole 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 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole?
The CAS number of 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole is 139087-90-4.
What is the molecular formula of 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole?
The molecular formula of 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole is C17H13N5O.
What is the molecular weight of 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole?
The molecular weight of 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole is 303.112 g/mol.
Where can I buy 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole?
You can request a quote for 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole?
Yes, CoreyChem provides custom synthesis services for 1-(4-methylphenyl)-5-(5-phenyl-4-isoxazolyl)-1H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.