2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide
TL;DR: 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide (CAS 879026-63-8) is a chemical compound with molecular formula C14H18N4OS and molecular weight 290.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-phenylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
Also Known As: ASN 13999121, N-(4-phenylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide, 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide, N-(4-phenylbutan-2-yl)-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide, N-(1-Methyl-3-phenyl-propyl)-2-(3H-[1,2,3]triazol-4-ylsulfanyl)-acetamide
| Molecular Formula | C14H18N4OS |
|---|---|
| Molecular Weight | 290.12 g/mol |
| LogP | 2.0343 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.12012 |
| Heavy Atoms | 20 |
| Complexity | 515.23486 |
Chemical Identifiers
| CAS Number | 879026-63-8 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NC(=O)CSC2=NNN=C2 |
Product Overview
2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide (CAS 879026-63-8), with molecular formula C14H18N4OS and molecular weight 290.12 g/mol. IUPAC: N-(4-phenylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide.
Chemical Property Profile of 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide
Property Insights of 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide
The XLogP value of 2.0343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide. Following Lipinski's Rule of Five, 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide has 2 hydrogen bond donor(s) and 4 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-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide?
The CAS number of 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide is 879026-63-8.
What is the molecular formula of 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide?
The molecular formula of 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide is C14H18N4OS.
What is the molecular weight of 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide?
The molecular weight of 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide is 290.12 g/mol.
Where can I buy 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide?
You can request a quote for 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,3-triazol-5-ylthio)-N-(1-methyl-3-phenylpropyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.