![N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/896/896844-44-3.png)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 896844-44-3) is a chemical compound with molecular formula C27H26N4O4S and molecular weight 502.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylphenoxymethyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-{4-(4-methylphenyl)-5-[(4-methylphenox y)methyl](1,2,4-triazol-3-ylthio)}acetamide
| Molecular Formula | C27H26N4O4S |
|---|---|
| Molecular Weight | 502.17 g/mol |
| LogP | 4.96514 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.16748 |
| Heavy Atoms | 36 |
| Complexity | 1353.4587 |
Chemical Identifiers
| CAS Number | 896844-44-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4)COC5=CC=C(C=C5)C |
Product Overview
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 896844-44-3), with molecular formula C27H26N4O4S and molecular weight 502.17 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 4.96514 indicates that N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-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 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 896844-44-3.
What is the molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C27H26N4O4S.
What is the molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 502.17 g/mol.
Where can I buy N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.