![3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine structure](/static/products/585/585555-99-3.png)
3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
TL;DR: 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 585555-99-3) is a chemical compound with molecular formula C26H24N4S and molecular weight 424.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 3-[4-(tert-butyl)phenyl]-6-(4-phenylphenyl)-7H-1,2,4-triazolo[3,4-b]1,3,4-thia diazine, 6-(biphenyl-4-yl)-3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 3-(4-phenylphenyl)-9-(4-tert-butylphenyl)-5-thia-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,6,8-triene, 6-([1,1'-biphenyl]-4-yl)-3-(4-(tert-butyl)phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C26H24N4S |
|---|---|
| Molecular Weight | 424.17 g/mol |
| LogP | 6.2677 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.17218 |
| Heavy Atoms | 31 |
| Complexity | 1231.5691 |
Chemical Identifiers
| CAS Number | 585555-99-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)C5=CC=CC=C5 |
Product Overview
3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 585555-99-3), with molecular formula C26H24N4S and molecular weight 424.17 g/mol. IUPAC: 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Property Insights of 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
The XLogP value of 6.2677 indicates that 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.07 Ų, 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The CAS number of 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 585555-99-3.
What is the molecular formula of 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular formula of 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C26H24N4S.
What is the molecular weight of 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular weight of 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 424.17 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
You can request a quote for 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.