![ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate structure](/static/products/4613/461399-93-9.webp)
ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
TL;DR: ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate (CAS 461399-93-9) is a chemical compound with molecular formula C25H22N6O3S2 and molecular weight 518.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate, ETHYL 2-({2-[(5-BENZYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL)SULFANYL]ACETYL}AMINO)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, ethyl 2-(2-((5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetamido)-4-methylthiazole-5-carboxylate, ethyl 2-[[2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H22N6O3S2 |
|---|---|
| Molecular Weight | 518.12 g/mol |
| LogP | 4.70022 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.1195 |
| Heavy Atoms | 36 |
| Complexity | 1564.6808 |
Chemical Identifiers
| CAS Number | 461399-93-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2)C |
Product Overview
ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate (CAS 461399-93-9), with molecular formula C25H22N6O3S2 and molecular weight 518.12 g/mol. IUPAC: ethyl 2-[[2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
Property Insights of ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
The XLogP value of 4.70022 indicates that ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate?
The CAS number of ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate is 461399-93-9.
What is the molecular formula of ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate?
The molecular formula of ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate is C25H22N6O3S2.
What is the molecular weight of ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate?
The molecular weight of ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate is 518.12 g/mol.
Where can I buy ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate?
You can request a quote for ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.