![5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole structure](/static/products/890/890641-79-9.png)
5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole
TL;DR: 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole (CAS 890641-79-9) is a chemical compound with molecular formula C16H12N4O and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-methyltriazol-1-yl)-3-phenyl-2,1-benzoxazole
Also Known As: 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole, 5-(5-methyltriazol-1-yl)-3-phenyl-2,1-benzoxazole, J2.748.578B, VU0607095-1, 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenyl-2,1-benzoxazole
| Molecular Formula | C16H12N4O |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 3.38392 |
| Topological Polar Surface Area | 56.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.1011 |
| Heavy Atoms | 21 |
| Complexity | 908.3397 |
Chemical Identifiers
| CAS Number | 890641-79-9 |
|---|---|
| SMILES | CC1=CN=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4 |
Product Overview
5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole (CAS 890641-79-9), with molecular formula C16H12N4O and molecular weight 276.10 g/mol. IUPAC: 5-(5-methyltriazol-1-yl)-3-phenyl-2,1-benzoxazole.
Chemical Property Profile of 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole
Property Insights of 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole
The XLogP value of 3.38392 indicates that 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.74 Ų, 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole has 0 hydrogen bond donor(s) and 4 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 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole?
The CAS number of 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole is 890641-79-9.
What is the molecular formula of 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole?
The molecular formula of 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole is C16H12N4O.
What is the molecular weight of 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole?
The molecular weight of 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole is 276.10 g/mol.
Where can I buy 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole?
You can request a quote for 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-methyl-1H-1,2,3-triazol-1-yl)-3-phenylbenzo[c]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.