![2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone structure](/static/products/6906/690643-25-5.webp)
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone
TL;DR: 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone (CAS 690643-25-5) is a chemical compound with molecular formula C11H10N4O3S and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,3-benzodioxol-5-yl)ethanone
Also Known As: VU0618227-1, 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone, F3394-0786, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2H-1,3-benzodioxol-5-yl)ethan-1-one, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,3-benzodioxol-5-yl)ethanone
| Molecular Formula | C11H10N4O3S |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 1.0906 |
| Topological Polar Surface Area | 103.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.04736 |
| Heavy Atoms | 19 |
| Complexity | 628.1529 |
Chemical Identifiers
| CAS Number | 690643-25-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NNC(=N3)N |
Product Overview
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone (CAS 690643-25-5), with molecular formula C11H10N4O3S and molecular weight 278.05 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,3-benzodioxol-5-yl)ethanone.
Chemical Property Profile of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone
Property Insights of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone
The XLogP value of 1.0906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone. The TPSA of 103.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone. Following Lipinski's Rule of Five, 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone has 2 hydrogen bond donor(s) and 7 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-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone?
The CAS number of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone is 690643-25-5.
What is the molecular formula of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone?
The molecular formula of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone is C11H10N4O3S.
What is the molecular weight of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone?
The molecular weight of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone is 278.05 g/mol.
Where can I buy 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone?
You can request a quote for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(benzo[d][1,3]dioxol-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.