N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
TL;DR: N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 538336-84-4) is a chemical compound with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-benzyl-2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-benzyl-2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-benzyl-2-[4-benzyl-5-(phenoxymethyl)(1,2,4-triazol-3-ylthio)]acetamide, 644-860-0
| Molecular Formula | C25H24N4O2S |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 4.3139 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 444.162 |
| Heavy Atoms | 32 |
| Complexity | 1118.6691 |
Chemical Identifiers
| CAS Number | 538336-84-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)COC4=CC=CC=C4 |
Product Overview
N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 538336-84-4), with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol. IUPAC: N-benzyl-2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
Property Insights of N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
The XLogP value of 4.3139 indicates that N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)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-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide. Following Lipinski's Rule of Five, N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide has 1 hydrogen bond donor(s) and 5 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 N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The CAS number of N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 538336-84-4.
What is the molecular formula of N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular formula of N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is C25H24N4O2S.
What is the molecular weight of N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular weight of N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 444.16 g/mol.
Where can I buy N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
You can request a quote for N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-2-((4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.