![4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole structure](/static/products/352/35222-80-1.png)
4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole
TL;DR: 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole (CAS 35222-80-1) is a chemical compound with molecular formula C12H15N3 and molecular weight 201.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenyl)-2H-triazole
Also Known As: 4-(4-tert-butylphenyl)-2H-triazole, 5-(4-tert-butylphenyl)-1H-1,2,3-triazole, 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole
| Molecular Formula | C12H15N3 |
|---|---|
| Molecular Weight | 201.13 g/mol |
| LogP | 2.7692 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.1266 |
| Heavy Atoms | 15 |
| Complexity | 420.89084 |
Chemical Identifiers
| CAS Number | 35222-80-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNN=C2 |
Product Overview
4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole (CAS 35222-80-1), with molecular formula C12H15N3 and molecular weight 201.13 g/mol. IUPAC: 4-(4-tert-butylphenyl)-2H-triazole.
Chemical Property Profile of 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole
Property Insights of 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole
The XLogP value of 2.7692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole has 1 hydrogen bond donor(s) and 2 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 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole?
The CAS number of 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole is 35222-80-1.
What is the molecular formula of 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole?
The molecular formula of 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole is C12H15N3.
What is the molecular weight of 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole?
The molecular weight of 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole is 201.13 g/mol.
Where can I buy 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole?
You can request a quote for 4-[4-(tert-butyl)phenyl]-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 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(tert-butyl)phenyl]-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.