2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide
TL;DR: 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide (CAS 332175-83-4) is a chemical compound with molecular formula C19H17N5O3S and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01280000, 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide, 2-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-nitro-phenyl)-acetamide, 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide, N-(4-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H17N5O3S |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 3.7701 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.10522 |
| Heavy Atoms | 28 |
| Complexity | 986.56354 |
Chemical Identifiers
| CAS Number | 332175-83-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide (CAS 332175-83-4), with molecular formula C19H17N5O3S and molecular weight 395.11 g/mol. IUPAC: N-(4-nitrophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide
Property Insights of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide
The XLogP value of 3.7701 indicates that 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)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 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide?
The CAS number of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide is 332175-83-4.
What is the molecular formula of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide is C19H17N5O3S.
What is the molecular weight of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide is 395.11 g/mol.
Where can I buy 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)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-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.