![N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/4991/499124-62-8.webp)
N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 499124-62-8) is a chemical compound with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[4-(4-methylphenyl)-5-(4-pyridyl)(1,2,4 -triazol-3-ylthio)]acetamide
| Molecular Formula | C23H19N5O3S |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 4.09722 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.12085 |
| Heavy Atoms | 32 |
| Complexity | 1258.6294 |
Chemical Identifiers
| CAS Number | 499124-62-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=NC=C5 |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 499124-62-8), with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 4.09722 indicates that N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-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 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 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 N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 499124-62-8.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C23H19N5O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 445.12 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-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-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.