1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole
TL;DR: 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole (CAS 401823-97-0) is a chemical compound with molecular formula C15H11N5OS and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(4-methylphenyl)tetrazol-5-yl]-5-thiophen-2-yl-1,2-oxazole
Also Known As: 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole, 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-thiophen-2-yl-1,2-oxazole, 2-{4-[1-(4-methylphenyl)-1,2,3,4-tetraazol-5-yl]isoxazol-5-yl}thiophene
| Molecular Formula | C15H11N5OS |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 3.35422 |
| Topological Polar Surface Area | 69.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.06842 |
| Heavy Atoms | 22 |
| Complexity | 892.3327 |
Chemical Identifiers
| CAS Number | 401823-97-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=N2)C3=C(ON=C3)C4=CC=CS4 |
Product Overview
1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole (CAS 401823-97-0), with molecular formula C15H11N5OS and molecular weight 309.07 g/mol. IUPAC: 4-[1-(4-methylphenyl)tetrazol-5-yl]-5-thiophen-2-yl-1,2-oxazole.
Chemical Property Profile of 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole
Property Insights of 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole
The XLogP value of 3.35422 indicates that 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole. Following Lipinski's Rule of Five, 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole has 0 hydrogen bond donor(s) and 6 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 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole?
The CAS number of 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole is 401823-97-0.
What is the molecular formula of 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole?
The molecular formula of 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole is C15H11N5OS.
What is the molecular weight of 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole?
The molecular weight of 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole is 309.07 g/mol.
Where can I buy 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole?
You can request a quote for 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)-5-(5-thien-2-ylisoxazol-4-yl)-1H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.