![2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione structure](/static/products/3260/326007-63-0.webp)
2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione
TL;DR: 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione (CAS 326007-63-0) is a chemical compound with molecular formula C12H10N4O2S and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]isoindole-1,3-dione
Also Known As: BAS 03353040, BIM-0003119.P001, 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione, AF-399/13907004, 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]isoindole-1,3-dione
| Molecular Formula | C12H10N4O2S |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.05246 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 326007-63-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC=NN3 |
| InChIKey | NUQKEVWBHXMVQZ-UHFFFAOYSA-N |
Product Overview
2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione (CAS 326007-63-0), with molecular formula C12H10N4O2S and molecular weight 274.05 g/mol. IUPAC: 2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]isoindole-1,3-dione.
Chemical Property Profile of 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione
Property Insights of 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-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-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione?
The CAS number of 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione is 326007-63-0.
What is the molecular formula of 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione?
The molecular formula of 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione is C12H10N4O2S.
What is the molecular weight of 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione?
The molecular weight of 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione is 274.05 g/mol.
Where can I buy 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione?
You can request a quote for 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-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-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4H-[1,2,4]Triazol-3-ylsulfanyl)-ethyl]-isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.