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2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide structure
Fine Chemical

2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide

TL;DR: 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide (CAS 843616-77-3) is a chemical compound with molecular formula C19H20ClN5O3S and molecular weight 433.09753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide

Also Known As: 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide, 2-((4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-methoxyphenyl)acetamide, 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxy-phenyl)acetamide, 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide, 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chloro-4-methoxyph enyl)acetamide

CAS Number
843616-77-3
Molecular Formula
C19H20ClN5O3S
Molecular Weight
433.09753 g/mol
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Technical Specifications

Molecular FormulaC19H20ClN5O3S
Molecular Weight433.09753 g/mol
XLogP3.5
Topological Polar Surface Area (TPSA)130.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors7
Rotatable Bonds8
Exact Mass433.09753 Da
Heavy Atoms29
Complexity526.0
SMILESCCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)OC)Cl
InChIKeyYVIXYBKGSWEVDJ-UHFFFAOYSA-N

Product Description

Applications: AC1MWK8P is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

AC1MWK8P (CAS 843616-77-3) is a fine chemical with the molecular formula C19H20ClN5O3S and a molecular weight of 433.1 g/mol. Synonyms include 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide and 2-((4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-methoxyphenyl)acetamide.

Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide

XLogP
3.5
TPSA (Topological Polar Surface Area)
130.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
Rotatable Bonds
8
Heavy Atoms
29
Complexity
526.0
Exact Mass
433.09753
Monoisotopic Mass
433.09753
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide

The XLogP value of 3.5 indicates that 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?

The CAS number of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide is 843616-77-3.

What is the molecular formula of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?

The molecular formula of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide is C19H20ClN5O3S.

What is the molecular weight of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?

The molecular weight of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide is 433.09753 g/mol.

What are the applications of 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?

AC1MWK8P is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Where can I buy 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?

You can request a quote for 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?

Yes, CoreyChem provides custom synthesis services for 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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