![N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/832/832091-90-4.png)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 832091-90-4) is a chemical compound with molecular formula C22H21N5O3S and molecular weight 435.14 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-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[[(5E)-4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[[(5Z)-4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1,3-Benzodioxol-5-ylmethyl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H21N5O3S |
|---|---|
| Molecular Weight | 435.14 g/mol |
| LogP | 3.5835 |
| Topological Polar Surface Area | 94.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.1365 |
| Heavy Atoms | 31 |
| Complexity | 1249.164 |
Chemical Identifiers
| CAS Number | 832091-90-4 |
|---|---|
| SMILES | CCN1C(=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-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 832091-90-4), with molecular formula C22H21N5O3S and molecular weight 435.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 3.5835 indicates that N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-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-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-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-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 832091-90-4.
What is the molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C22H21N5O3S.
What is the molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 435.14 g/mol.
Where can I buy N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-ethyl-5-(1H-indol-3-yl)-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-{[4-ethyl-5-(1H-indol-3-yl)-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-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.