1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole
TL;DR: 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole (CAS 634167-64-9) is a chemical compound with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenyl)methyl]-3-nitro-1,2,4-triazole
Also Known As: DprE1-IN-377790, DprE1-IN-12, 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole, BAS 07324700, 1-[(4-tert-butylphenyl)methyl]-3-nitro-1,2,4-triazole
| Molecular Formula | C13H16N4O2 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 2.5321 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.12732 |
| Heavy Atoms | 19 |
| Complexity | 581.43585 |
Chemical Identifiers
| CAS Number | 634167-64-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2C=NC(=N2)[N+](=O)[O-] |
Product Overview
1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole (CAS 634167-64-9), with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol. IUPAC: 1-[(4-tert-butylphenyl)methyl]-3-nitro-1,2,4-triazole.
Chemical Property Profile of 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole
Property Insights of 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole
The XLogP value of 2.5321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-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 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole?
The CAS number of 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole is 634167-64-9.
What is the molecular formula of 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole?
The molecular formula of 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole is C13H16N4O2.
What is the molecular weight of 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole?
The molecular weight of 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole is 260.13 g/mol.
Where can I buy 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole?
You can request a quote for 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-tert-butylbenzyl)-3-nitro-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.