![ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate structure](/static/products/4333/433308-26-0.webp)
ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate
TL;DR: ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate (CAS 433308-26-0) is a chemical compound with molecular formula C18H17N7O3S2 and molecular weight 443.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-[[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
Also Known As: ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate, ethyl 2-(5-(2-((5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetamido)-1,3,4-thiadiazol-2-yl)acetate, ethyl 2-[5-[[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate, ETHYL 2-{5-[2-({5-METHYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETAMIDO]-1,3,4-THIADIAZOL-2-YL}ACETATE, ETHYL 2-{5-[2-({5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETAMIDO]-1,3,4-THIADIAZOL-2-YL}ACETATE
| Molecular Formula | C18H17N7O3S2 |
|---|---|
| Molecular Weight | 443.08 g/mol |
| LogP | 2.2044 |
| Topological Polar Surface Area | 124.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.08344 |
| Heavy Atoms | 30 |
| Complexity | 1237.2072 |
Chemical Identifiers
| CAS Number | 433308-26-0 |
|---|---|
| SMILES | CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3C)N=N2 |
Product Overview
ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate (CAS 433308-26-0), with molecular formula C18H17N7O3S2 and molecular weight 443.08 g/mol. IUPAC: ethyl 2-[5-[[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate.
Chemical Property Profile of ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate
Property Insights of ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate
The XLogP value of 2.2044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate. The TPSA of 124.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate. Following Lipinski's Rule of Five, ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate has 1 hydrogen bond donor(s) and 10 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 ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate?
The CAS number of ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate is 433308-26-0.
What is the molecular formula of ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate?
The molecular formula of ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate is C18H17N7O3S2.
What is the molecular weight of ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate?
The molecular weight of ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate is 443.08 g/mol.
Where can I buy ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate?
You can request a quote for ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [5-({[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.