![3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione structure](/static/products/5824/58249-38-0.webp)
3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione
TL;DR: 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione (CAS 58249-38-0) is a chemical compound with molecular formula C14H16N4O2 and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-6-phenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
Also Known As: 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione, 3-tert-butyl-6-phenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-, 3-tert-butyl-6-phenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
| Molecular Formula | C14H16N4O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.12732 |
| Heavy Atoms | 20 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 58249-38-0 |
|---|---|
| SMILES | CC(C)(C)C1C=NN2N1C(=O)N(C2=O)C3=CC=CC=C3 |
| InChIKey | BCLMNHCEDHDGHL-UHFFFAOYSA-N |
Product Overview
3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione (CAS 58249-38-0), with molecular formula C14H16N4O2 and molecular weight 272.13 g/mol. IUPAC: 3-tert-butyl-6-phenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione.
Chemical Property Profile of 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione
Property Insights of 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione. With a topological polar surface area (TPSA) of 56.2 Ų, 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione has 0 hydrogen bond donor(s) and 3 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 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione?
The CAS number of 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione is 58249-38-0.
What is the molecular formula of 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione?
The molecular formula of 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione is C14H16N4O2.
What is the molecular weight of 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione?
The molecular weight of 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione is 272.13 g/mol.
Where can I buy 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione?
You can request a quote for 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butyl-6-phenyl-3H,5H-[1,2,4]triazolo[1,2-a][1,2,3]triazole-5,7(6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.