4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile
TL;DR: 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile (CAS 1020252-28-1) is a chemical compound with molecular formula C15H10N4O and molecular weight 262.08545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile
Also Known As: 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile, 5-(3-phenoxyphenyl)-2H-triazole-4-carbonitrile, J3.032.229K, 5-(3-Phenoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile, 4-(3-phenoxyphenyl)-1h-[1,2,3]triazole-5-carbonitrile
Technical Specifications
| Molecular Formula | C15H10N4O |
| Molecular Weight | 262.08545 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.08545 Da |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=NNN=C3C#N |
| InChIKey | NXOAIXQCQZIYEF-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile
Property Insights of 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile. Following Lipinski's Rule of Five, 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile?
The CAS number of 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile is 1020252-28-1.
What is the molecular formula of 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile?
The molecular formula of 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile is C15H10N4O.
What is the molecular weight of 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile?
The molecular weight of 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile is 262.08545 g/mol.
Where can I buy 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile?
You can request a quote for 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.