![2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide structure](/static/products/6802/680201-44-9.webp)
2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
TL;DR: 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide (CAS 680201-44-9) is a chemical compound with molecular formula C17H13Cl2N5O3S and molecular weight 437.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide
Also Known As: 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide, 2-((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide, 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide, 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzo[1,3]dioxol-5-yl-acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[4-amino-5-(2,4-dichlorophenyl)(1,2,4-t riazol-3-ylthio)]acetamide
| Molecular Formula | C17H13Cl2N5O3S |
|---|---|
| Molecular Weight | 437.01 g/mol |
| LogP | 3.4252 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.01163 |
| Heavy Atoms | 28 |
| Complexity | 1059.2673 |
Chemical Identifiers
| CAS Number | 680201-44-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide (CAS 680201-44-9), with molecular formula C17H13Cl2N5O3S and molecular weight 437.01 g/mol. IUPAC: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide.
Chemical Property Profile of 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
Property Insights of 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
The XLogP value of 3.4252 indicates that 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide 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-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide?
The CAS number of 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide is 680201-44-9.
What is the molecular formula of 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide?
The molecular formula of 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide is C17H13Cl2N5O3S.
What is the molecular weight of 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide?
The molecular weight of 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide is 437.01 g/mol.
Where can I buy 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide?
You can request a quote for 2-{[4-amino-5-(2,4-dichlorophenyl)-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-amino-5-(2,4-dichlorophenyl)-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-amino-5-(2,4-dichlorophenyl)-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.