![2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone structure](/static/products/6944/694461-01-3.webp)
2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone
TL;DR: 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone (CAS 694461-01-3) is a chemical compound with molecular formula C21H20N4OS and molecular weight 376.14 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]-1-phenylethanone
Also Known As: CBKinase1_003945, CBKinase1_016345, BRD-K18321520-001-01-4, 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone, 2-[(5-BUTYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL)SULFANYL]-1-PHENYL-1-ETHANONE
| Molecular Formula | C21H20N4OS |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 4.7546 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.13577 |
| Heavy Atoms | 27 |
| Complexity | 1091.4431 |
Chemical Identifiers
| CAS Number | 694461-01-3 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)C4=CC=CC=C4 |
Product Overview
2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone (CAS 694461-01-3), with molecular formula C21H20N4OS and molecular weight 376.14 g/mol. IUPAC: 2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone
Property Insights of 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone
The XLogP value of 4.7546 indicates that 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 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]-1-phenylethanone. Following Lipinski's Rule of Five, 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone has 0 hydrogen bond donor(s) and 5 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]-1-phenylethanone?
The CAS number of 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone is 694461-01-3.
What is the molecular formula of 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone?
The molecular formula of 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone is C21H20N4OS.
What is the molecular weight of 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone?
The molecular weight of 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone is 376.14 g/mol.
Where can I buy 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone?
You can request a quote for 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone 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]-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.