5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole
TL;DR: 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole (CAS 313372-79-1) is a chemical compound with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-1-(4-nitrophenyl)triazole
Also Known As: 5-tert-butyl-1-(4-nitrophenyl)triazole, 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole, AB00124508-03, 5-(tert-butyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole, F1480-0039
| Molecular Formula | C12H14N4O2 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.11168 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 313372-79-1 |
|---|---|
| SMILES | CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | FRAYZPDBVGAIJE-UHFFFAOYSA-N |
Product Overview
5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole (CAS 313372-79-1), with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol. IUPAC: 5-tert-butyl-1-(4-nitrophenyl)triazole.
Chemical Property Profile of 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole
Property Insights of 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole. Following Lipinski's Rule of Five, 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole 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-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole?
The CAS number of 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole is 313372-79-1.
What is the molecular formula of 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole?
The molecular formula of 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole is C12H14N4O2.
What is the molecular weight of 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole?
The molecular weight of 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole is 246.11 g/mol.
Where can I buy 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole?
You can request a quote for 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-butyl-1-(4-nitrophenyl)-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.