![N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/5779/577999-62-3.webp)
N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 577999-62-3) is a chemical compound with molecular formula C23H21N5O2S and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
Also Known As: N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide, 2-(4-methyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(phenylmethoxy)phenyl] acetamide, N-(4-(benzyloxy)phenyl)-2-((4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C23H21N5O2S |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 4.1869 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.1416 |
| Heavy Atoms | 31 |
| Complexity | 1131.8677 |
Chemical Identifiers
| CAS Number | 577999-62-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=N4 |
Product Overview
N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 577999-62-3), with molecular formula C23H21N5O2S and molecular weight 431.14 g/mol. IUPAC: 2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide.
Chemical Property Profile of N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 4.1869 indicates that N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-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 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 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 N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 577999-62-3.
What is the molecular formula of N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C23H21N5O2S.
What is the molecular weight of N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 431.14 g/mol.
Where can I buy N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-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-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(benzyloxy)phenyl]-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.