![2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide structure](/static/products/5779/577984-31-7.webp)
2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
TL;DR: 2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide (CAS 577984-31-7) is a chemical compound with molecular formula C18H17N5O4S and molecular weight 399.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide
Also Known As: 2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide, 2-((4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide, 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[4-amino-5-(2-methoxyphenyl)(1,2,4-tria zol-3-ylthio)]acetamide
| Molecular Formula | C18H17N5O4S |
|---|---|
| Molecular Weight | 399.10 g/mol |
| LogP | 2.127 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.10013 |
| Heavy Atoms | 28 |
| Complexity | 1022.9606 |
Chemical Identifiers
| CAS Number | 577984-31-7 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide (CAS 577984-31-7), with molecular formula C18H17N5O4S and molecular weight 399.10 g/mol. IUPAC: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide.
Chemical Property Profile of 2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
Property Insights of 2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide
The XLogP value of 2.127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide. The TPSA of 113.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(2-methoxyphenyl)-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-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide has 2 hydrogen bond donor(s) and 8 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-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide?
The CAS number of 2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide is 577984-31-7.
What is the molecular formula of 2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide?
The molecular formula of 2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide is C18H17N5O4S.
What is the molecular weight of 2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide?
The molecular weight of 2-{[4-amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-benzodioxol-5-yl)acetamide is 399.10 g/mol.
Where can I buy 2-{[4-amino-5-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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.