![4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide structure](/static/products/100/1002033-79-5.png)
4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide
TL;DR: 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide (CAS 1002033-79-5) is a chemical compound with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]benzamide
Also Known As: 4-[[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]benzamide, 4-[[2-[(5-Ethyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]acetyl]amino]benzamide, 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide
| Molecular Formula | C20H18N6O2S |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 2.8291 |
| Topological Polar Surface Area | 115.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1212 |
| Heavy Atoms | 29 |
| Complexity | 1219.0873 |
Chemical Identifiers
| CAS Number | 1002033-79-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)N |
Product Overview
4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide (CAS 1002033-79-5), with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol. IUPAC: 4-[[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide
Property Insights of 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide
The XLogP value of 2.8291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide. The TPSA of 115.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide. Following Lipinski's Rule of Five, 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide 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-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide?
The CAS number of 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide is 1002033-79-5.
What is the molecular formula of 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide?
The molecular formula of 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide is C20H18N6O2S.
What is the molecular weight of 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide?
The molecular weight of 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide is 406.12 g/mol.
Where can I buy 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide?
You can request a quote for 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.