![4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol structure](/static/products/586/586985-75-3.png)
4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
TL;DR: 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol (CAS 586985-75-3) is a chemical compound with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Also Known As: 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol, 4-(3-(4-(tert-butyl)phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)benzene-1,2-diol, 4-[3-(4-tert-butylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-2-hydroxycyclohexa-2,5-dien-1-one, 4-{3-[4-(tert-butyl)phenyl]-7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazin-6-yl}benz ene-1,2-diol
| Molecular Formula | C20H20N4O2S |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 4.0119 |
| Topological Polar Surface Area | 83.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.1307 |
| Heavy Atoms | 27 |
| Complexity | 1033.1255 |
Chemical Identifiers
| CAS Number | 586985-75-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(CS3)C4=CC(=C(C=C4)O)O |
Product Overview
4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol (CAS 586985-75-3), with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol. IUPAC: 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol.
Chemical Property Profile of 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Property Insights of 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
The XLogP value of 4.0119 indicates that 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol. Following Lipinski's Rule of Five, 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol has 2 hydrogen bond donor(s) and 6 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-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol?
The CAS number of 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol is 586985-75-3.
What is the molecular formula of 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol?
The molecular formula of 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol is C20H20N4O2S.
What is the molecular weight of 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol?
The molecular weight of 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol is 380.13 g/mol.
Where can I buy 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol?
You can request a quote for 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.