![2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione structure](/static/products/6902/690249-56-0.webp)
2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione
TL;DR: 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione (CAS 690249-56-0) is a chemical compound with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_011570, CBKinase1_023970, 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione, 2-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]benzo[de]isoquinoline-1,3-dione, BRD-K06800040-001-01-2
| Molecular Formula | C17H14N4O2S |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 2.7363 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.08374 |
| Heavy Atoms | 24 |
| Complexity | 872.74506 |
Chemical Identifiers
| CAS Number | 690249-56-0 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=NC=NN4 |
Product Overview
2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione (CAS 690249-56-0), with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol. IUPAC: 2-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione
Property Insights of 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione
The XLogP value of 2.7363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione has 1 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-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione?
The CAS number of 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione is 690249-56-0.
What is the molecular formula of 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione?
The molecular formula of 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione is C17H14N4O2S.
What is the molecular weight of 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione?
The molecular weight of 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione is 338.08 g/mol.
Where can I buy 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione?
You can request a quote for 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.