![2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide structure](/static/products/5787/578744-54-4.webp)
2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide
TL;DR: 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide (CAS 578744-54-4) is a chemical compound with molecular formula C23H20ClN5O2S and molecular weight 465.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
Also Known As: 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide, 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide, 2-((4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide, 2-{[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide
| Molecular Formula | C23H20ClN5O2S |
|---|---|
| Molecular Weight | 465.10 g/mol |
| LogP | 4.6221 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.10263 |
| Heavy Atoms | 32 |
| Complexity | 1198.7545 |
Chemical Identifiers
| CAS Number | 578744-54-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=CC=C4Cl |
Product Overview
2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide (CAS 578744-54-4), with molecular formula C23H20ClN5O2S and molecular weight 465.10 g/mol. IUPAC: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide
Property Insights of 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide
The XLogP value of 4.6221 indicates that 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide 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-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide 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-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide?
The CAS number of 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide is 578744-54-4.
What is the molecular formula of 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide?
The molecular formula of 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide is C23H20ClN5O2S.
What is the molecular weight of 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide?
The molecular weight of 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide is 465.10 g/mol.
Where can I buy 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide?
You can request a quote for 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]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-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(2-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmethoxy)phe nyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.