2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide
TL;DR: 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide (CAS 899387-52-1) is a chemical compound with molecular formula C29H25ClN4O3S and molecular weight 544.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide, 2-{[5-(4-chlorophenoxymethyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide, 2-{5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)}-N-n aphthylacetamide
| Molecular Formula | C29H25ClN4O3S |
|---|---|
| Molecular Weight | 544.13 g/mol |
| LogP | 6.7824 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.1336 |
| Heavy Atoms | 38 |
| Complexity | 1533.0741 |
Chemical Identifiers
| CAS Number | 899387-52-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)COC5=CC=C(C=C5)Cl |
Product Overview
2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide (CAS 899387-52-1), with molecular formula C29H25ClN4O3S and molecular weight 544.13 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide
Property Insights of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide
The XLogP value of 6.7824 indicates that 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)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-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide. Following Lipinski's Rule of Five, 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)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-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide?
The CAS number of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide is 899387-52-1.
What is the molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide?
The molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide is C29H25ClN4O3S.
What is the molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide?
The molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide is 544.13 g/mol.
Where can I buy 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide?
You can request a quote for 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.