![1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone structure](/static/products/6906/690643-09-5.webp)
1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (CAS 690643-09-5) is a chemical compound with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
Also Known As: VU0618203-1, F3394-0722, 1-(2H-1,3-benzodioxol-5-yl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}ethan-1-one, 1-(1,3-benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone, 2-(1,2,3a-triaza-3-indenylthio)-1-(2H-1,3-benzodioxol-5-yl)-1-ethanone
| Molecular Formula | C15H11N3O3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 2.433 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.05212 |
| Heavy Atoms | 22 |
| Complexity | 862.11487 |
Chemical Identifiers
| CAS Number | 690643-09-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C4N3C=CC=C4 |
Product Overview
1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (CAS 690643-09-5), with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
The XLogP value of 2.433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone has 0 hydrogen bond donor(s) and 6 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 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is 690643-09-5.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is C15H11N3O3S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is 313.05 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.