![N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/861/861111-71-9.png)
N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 861111-71-9) is a chemical compound with molecular formula C26H23ClN4O2S and molecular weight 490.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
Also Known As: N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide, 2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide, 2-[5-(3-chlorophenyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmetho xy)phenyl]acetamide
| Molecular Formula | C26H23ClN4O2S |
|---|---|
| Molecular Weight | 490.12 g/mol |
| LogP | 6.0943 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.12302 |
| Heavy Atoms | 34 |
| Complexity | 1259.553 |
Chemical Identifiers
| CAS Number | 861111-71-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)Cl |
Product Overview
N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 861111-71-9), with molecular formula C26H23ClN4O2S and molecular weight 490.12 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide.
Chemical Property Profile of N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 6.0943 indicates that N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 861111-71-9.
What is the molecular formula of N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C26H23ClN4O2S.
What is the molecular weight of N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 490.12 g/mol.
Where can I buy N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(benzyloxy)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.