}-N-[ 4-(methylpropyl)phenyl]acetamide structure](/static/products/896/896809-91-9.png)
2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide
TL;DR: 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide (CAS 896809-91-9) is a chemical compound with molecular formula C30H34N4O3S and molecular weight 530.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide, N-(4-(sec-butyl)phenyl)-2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-(butan-2-yl)phenyl]-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-[4-(butan-2-yl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C30H34N4O3S |
|---|---|
| Molecular Weight | 530.24 g/mol |
| LogP | 6.79772 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 530.23517 |
| Heavy Atoms | 38 |
| Complexity | 1319.3774 |
Chemical Identifiers
| CAS Number | 896809-91-9 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)COC4=CC=C(C=C4)C |
Product Overview
2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide (CAS 896809-91-9), with molecular formula C30H34N4O3S and molecular weight 530.24 g/mol. IUPAC: N-(4-butan-2-ylphenyl)-2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide
Property Insights of 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide
The XLogP value of 6.79772 indicates that 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide?
The CAS number of 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide is 896809-91-9.
What is the molecular formula of 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide?
The molecular formula of 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide is C30H34N4O3S.
What is the molecular weight of 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide?
The molecular weight of 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide is 530.24 g/mol.
Where can I buy 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide?
You can request a quote for 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]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-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 4-(methylpropyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.