![2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide structure](/static/products/5779/577999-45-2.webp)
2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide
TL;DR: 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide (CAS 577999-45-2) is a chemical compound with molecular formula C18H18ClN5O2S and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
Also Known As: 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide, 2-((4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide, 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide, 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
| Molecular Formula | C18H18ClN5O2S |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 3.4418 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.08698 |
| Heavy Atoms | 27 |
| Complexity | 929.75635 |
Chemical Identifiers
| CAS Number | 577999-45-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide (CAS 577999-45-2), with molecular formula C18H18ClN5O2S and molecular weight 403.09 g/mol. IUPAC: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide
Property Insights of 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide
The XLogP value of 3.4418 indicates that 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide. Following Lipinski's Rule of Five, 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide has 2 hydrogen bond donor(s) and 6 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 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide?
The CAS number of 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide is 577999-45-2.
What is the molecular formula of 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide?
The molecular formula of 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide is C18H18ClN5O2S.
What is the molecular weight of 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide?
The molecular weight of 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide is 403.09 g/mol.
Where can I buy 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide?
You can request a quote for 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(4-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl)aceta mide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.