1,2-Di(1H-1,2,4-triazol-1-yl)ethane
TL;DR: 1,2-Di(1H-1,2,4-triazol-1-yl)ethane (CAS 116476-98-3) is a chemical compound with molecular formula C6H8N6 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole
Also Known As: 1,2-Di(1H-1,2,4-triazol-1-yl)ethane, YSZC123, (CH2)2Tz2, 1H-1,2,4-Triazole, 1,1'-(1,2-ethanediyl)bis-, 1,1'-(1,2-Ethanediyl)bis-1H-1,2,4-triazole
| Molecular Formula | C6H8N6 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08104 |
| Heavy Atoms | 12 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 116476-98-3 |
|---|---|
| SMILES | C1=NN(C=N1)CCN2C=NC=N2 |
| InChIKey | LUOXFPFERXZJIU-UHFFFAOYSA-N |
Product Overview
1,2-Di(1H-1,2,4-triazol-1-yl)ethane (CAS 116476-98-3), with molecular formula C6H8N6 and molecular weight 164.08 g/mol. IUPAC: 1-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole.
Chemical Property Profile of 1,2-Di(1H-1,2,4-triazol-1-yl)ethane
Property Insights of 1,2-Di(1H-1,2,4-triazol-1-yl)ethane
The XLogP value of -0.4 indicates that 1,2-Di(1H-1,2,4-triazol-1-yl)ethane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Di(1H-1,2,4-triazol-1-yl)ethane. Following Lipinski's Rule of Five, 1,2-Di(1H-1,2,4-triazol-1-yl)ethane 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 1,2-Di(1H-1,2,4-triazol-1-yl)ethane?
The CAS number of 1,2-Di(1H-1,2,4-triazol-1-yl)ethane is 116476-98-3.
What is the molecular formula of 1,2-Di(1H-1,2,4-triazol-1-yl)ethane?
The molecular formula of 1,2-Di(1H-1,2,4-triazol-1-yl)ethane is C6H8N6.
What is the molecular weight of 1,2-Di(1H-1,2,4-triazol-1-yl)ethane?
The molecular weight of 1,2-Di(1H-1,2,4-triazol-1-yl)ethane is 164.08 g/mol.
Where can I buy 1,2-Di(1H-1,2,4-triazol-1-yl)ethane?
You can request a quote for 1,2-Di(1H-1,2,4-triazol-1-yl)ethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Di(1H-1,2,4-triazol-1-yl)ethane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Di(1H-1,2,4-triazol-1-yl)ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.