![N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/830/830344-81-5.png)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 830344-81-5) is a chemical compound with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetamide, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-ylmethyl)acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[[(5E)-5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H19N5O3S |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 3.1006 |
| Topological Polar Surface Area | 94.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.12085 |
| Heavy Atoms | 30 |
| Complexity | 1232.5929 |
Chemical Identifiers
| CAS Number | 830344-81-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54 |
Product Overview
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 830344-81-5), with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 3.1006 indicates that N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 2 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 N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 830344-81-5.
What is the molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C21H19N5O3S.
What is the molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 421.12 g/mol.
Where can I buy N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.