![2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide structure](/static/products/7130/713099-47-9.webp)
2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
TL;DR: 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CAS 713099-47-9) is a chemical compound with molecular formula C20H23N7OS2 and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide, 2-({5-BUTYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(5-ISOPROPYL-1,3,4-THIADIAZOL-2-YL)ACETAMIDE, 2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide, 2-[(5-BUTYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL)SULFANYL]-N~1~-(5-ISOPROPYL-1,3,4-THIADIAZOL-2-YL)ACETAMIDE
| Molecular Formula | C20H23N7OS2 |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 4.4853 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.14056 |
| Heavy Atoms | 30 |
| Complexity | 1184.5529 |
Chemical Identifiers
| CAS Number | 713099-47-9 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NN=C(S4)C(C)C |
Product Overview
2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CAS 713099-47-9), with molecular formula C20H23N7OS2 and molecular weight 441.14 g/mol. IUPAC: 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
Property Insights of 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
The XLogP value of 4.4853 indicates that 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 8 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 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The CAS number of 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is 713099-47-9.
What is the molecular formula of 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The molecular formula of 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is C20H23N7OS2.
What is the molecular weight of 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The molecular weight of 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is 441.14 g/mol.
Where can I buy 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
You can request a quote for 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.