![N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide structure](/static/products/453/453512-70-4.png)
N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide (CAS 453512-70-4) is a chemical compound with molecular formula C18H13N5O3S and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide, N-(1,3-dioxaindan-5-yl)-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide, N-1,3-benzodioxol-5-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)acetamide
| Molecular Formula | C18H13N5O3S |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 2.9656 |
| Topological Polar Surface Area | 102.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.0739 |
| Heavy Atoms | 27 |
| Complexity | 1176.3091 |
Chemical Identifiers
| CAS Number | 453512-70-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide (CAS 453512-70-4), with molecular formula C18H13N5O3S and molecular weight 379.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
The XLogP value of 2.9656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide. The TPSA of 102.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide has 2 hydrogen bond donor(s) and 7 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-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is 453512-70-4.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is C18H13N5O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is 379.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.