![N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide structure](/static/products/851/851903-67-8.png)
N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide
TL;DR: N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide (CAS 851903-67-8) is a chemical compound with molecular formula C21H27N7O2S2 and molecular weight 473.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-[4-[2-(5H-[1,2,4]triazino[6,5-b][1,4]benzothiazin-3-ylsulfanyl)acetyl]piperazin-1-yl]acetamide
Also Known As: N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide, N-tert-butyl-2-[4-[2-(5H-[1,2,4]triazino[6,5-b][1,4]benzothiazin-3-ylsulfanyl)acetyl]piperazin-1-yl]acetamide
| Molecular Formula | C21H27N7O2S2 |
|---|---|
| Molecular Weight | 473.17 g/mol |
| LogP | 2.2308 |
| Topological Polar Surface Area | 103.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.16678 |
| Heavy Atoms | 32 |
| Complexity | 1003.88293 |
Chemical Identifiers
| CAS Number | 851903-67-8 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NC3=C(N=N2)SC4=CC=CC=C4N3 |
Product Overview
N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide (CAS 851903-67-8), with molecular formula C21H27N7O2S2 and molecular weight 473.17 g/mol. IUPAC: N-tert-butyl-2-[4-[2-(5H-[1,2,4]triazino[6,5-b][1,4]benzothiazin-3-ylsulfanyl)acetyl]piperazin-1-yl]acetamide.
Chemical Property Profile of N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide
Property Insights of N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide
The XLogP value of 2.2308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide. The TPSA of 103.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide. Following Lipinski's Rule of Five, N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide has 2 hydrogen bond donor(s) and 9 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 N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide?
The CAS number of N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide is 851903-67-8.
What is the molecular formula of N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide?
The molecular formula of N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide is C21H27N7O2S2.
What is the molecular weight of N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide?
The molecular weight of N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide is 473.17 g/mol.
Where can I buy N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide?
You can request a quote for N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-Dimethylethyl)-4-[2-(5H-1,2,4-triazino[6,5-b][1,4]benzothiazin-3-ylthio)acetyl]-1-piperazineacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.