![2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE structure](/static/products/5869/586994-47-0.webp)
2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE
TL;DR: 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE (CAS 586994-47-0) is a chemical compound with molecular formula C19H17N5O3S and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE, 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide, 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(1,3-benzodioxol-5-YL)acetamide, 637-396-5, N-(1,3-benzodioxol-5-yl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H17N5O3S |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 2.9856 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.10522 |
| Heavy Atoms | 28 |
| Complexity | 1006.05865 |
Chemical Identifiers
| CAS Number | 586994-47-0 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=N4 |
Product Overview
2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE (CAS 586994-47-0), with molecular formula C19H17N5O3S and molecular weight 395.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE
Property Insights of 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE
The XLogP value of 2.9856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE. Following Lipinski's Rule of Five, 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE has 1 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-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE?
The CAS number of 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE is 586994-47-0.
What is the molecular formula of 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE?
The molecular formula of 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE is C19H17N5O3S.
What is the molecular weight of 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE?
The molecular weight of 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE is 395.11 g/mol.
Where can I buy 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE?
You can request a quote for 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(1,3-BENZODIOXOL-5-YL)ACETAMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.