1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-
TL;DR: 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)- (CAS 165397-57-9) is a chemical compound with molecular formula C13H15FN4 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-tert-butyl-2H-triazol-4-yl)-N-(4-fluorophenyl)methanimine
Also Known As: 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-, N-[(5-tert-butyltriazol-4-ylidene)methyl]-4-fluoroaniline, N-((4-(tert-Butyl)-1H-1,2,3-triazol-5-yl)methylene)-4-fluoroaniline, N-[(E)-(5-tert-butyltriazol-4-ylidene)methyl]-4-fluoroaniline, N-[(Z)-(5-tert-butyltriazol-4-ylidene)methyl]-4-fluoroaniline
| Molecular Formula | C13H15FN4 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.12808 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 165397-57-9 |
|---|---|
| SMILES | CC(C)(C)C1=NNN=C1C=NC2=CC=C(C=C2)F |
| InChIKey | UTUSCYWSHYEHBV-UHFFFAOYSA-N |
Product Overview
1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)- (CAS 165397-57-9), with molecular formula C13H15FN4 and molecular weight 246.13 g/mol. IUPAC: 1-(5-tert-butyl-2H-triazol-4-yl)-N-(4-fluorophenyl)methanimine.
Chemical Property Profile of 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-
Property Insights of 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-
The XLogP value of 3.0 indicates that 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.9 Ų, 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)- 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
Frequently Asked Questions
What is the CAS number of 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-?
The CAS number of 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)- is 165397-57-9.
What is the molecular formula of 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-?
The molecular formula of 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)- is C13H15FN4.
What is the molecular weight of 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-?
The molecular weight of 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)- is 246.13 g/mol.
Where can I buy 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-?
You can request a quote for 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.