![2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide structure](/static/products/7012/701276-31-5.webp)
2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide
TL;DR: 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide (CAS 701276-31-5) is a chemical compound with molecular formula C25H30N6O3S and molecular weight 494.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
Also Known As: 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide, 2-(4-methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide, 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio}-4H-1,2,4-triazol-3-yl)methyl]acetamide
| Molecular Formula | C25H30N6O3S |
|---|---|
| Molecular Weight | 494.21 g/mol |
| LogP | 2.1235 |
| Topological Polar Surface Area | 92.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.21002 |
| Heavy Atoms | 35 |
| Complexity | 1127.8638 |
Chemical Identifiers
| CAS Number | 701276-31-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)CC4=CC=C(C=C4)OC |
Product Overview
2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide (CAS 701276-31-5), with molecular formula C25H30N6O3S and molecular weight 494.21 g/mol. IUPAC: 2-(4-methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide.
Chemical Property Profile of 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide
Property Insights of 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide
The XLogP value of 2.1235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide. The TPSA of 92.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide. Following Lipinski's Rule of Five, 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide has 1 hydrogen bond donor(s) and 7 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-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide?
The CAS number of 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide is 701276-31-5.
What is the molecular formula of 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide?
The molecular formula of 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide is C25H30N6O3S.
What is the molecular weight of 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide?
The molecular weight of 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide is 494.21 g/mol.
Where can I buy 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide?
You can request a quote for 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]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-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.