![2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide structure](/static/products/7609/760964-08-7.webp)
2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
TL;DR: 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide (CAS 760964-08-7) is a chemical compound with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Also Known As: 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide, 2-((4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl )-acetamide, 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
| Molecular Formula | C20H21N5O5S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 2.1781 |
| Topological Polar Surface Area | 122.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.12634 |
| Heavy Atoms | 31 |
| Complexity | 1103.5598 |
Chemical Identifiers
| CAS Number | 760964-08-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC4=C(C=C3)OCCO4)OC |
Product Overview
2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide (CAS 760964-08-7), with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol. IUPAC: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
Chemical Property Profile of 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
Property Insights of 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
The XLogP value of 2.1781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide. The TPSA of 122.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide. Following Lipinski's Rule of Five, 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide has 2 hydrogen bond donor(s) and 9 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-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide?
The CAS number of 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide is 760964-08-7.
What is the molecular formula of 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide?
The molecular formula of 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide is C20H21N5O5S.
What is the molecular weight of 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide?
The molecular weight of 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide is 443.13 g/mol.
Where can I buy 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide?
You can request a quote for 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-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-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-Amino-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.