![8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine structure](/static/products/847/847467-83-8.png)
8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
TL;DR: 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine (CAS 847467-83-8) is a chemical compound with molecular formula C9H12N4S and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
Also Known As: 8-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine, 8-tert-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine, A3967/0169101, 8-(tert-butyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine, 8-(tert-butyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazepine
| Molecular Formula | C9H12N4S |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 2.1477 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.07826 |
| Heavy Atoms | 14 |
| Complexity | 397.1896 |
Chemical Identifiers
| CAS Number | 847467-83-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=NN2C=NN=C2S1 |
Product Overview
8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine (CAS 847467-83-8), with molecular formula C9H12N4S and molecular weight 208.08 g/mol. IUPAC: 8-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine.
Chemical Property Profile of 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
Property Insights of 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
The XLogP value of 2.1477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine. With a topological polar surface area (TPSA) of 43.07 Ų, 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine 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 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine?
The CAS number of 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine is 847467-83-8.
What is the molecular formula of 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine?
The molecular formula of 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine is C9H12N4S.
What is the molecular weight of 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine?
The molecular weight of 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine is 208.08 g/mol.
Where can I buy 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine?
You can request a quote for 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine?
Yes, KEHONG BIO provides custom synthesis services for 8-Tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.