Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-
TL;DR: Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)- (CAS 113518-52-8) is a chemical compound with molecular formula C21H16N6O3S and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-nitrophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-, BAS 01377635, Acetamide, N-(3-nitrophenyl)-2-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-, N-(3-Nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)acetamide, N-(3-nitrophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C21H16N6O3S |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 3.9683 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.10046 |
| Heavy Atoms | 31 |
| Complexity | 1214.2893 |
Chemical Identifiers
| CAS Number | 113518-52-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=NC=C4 |
Product Overview
Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)- (CAS 113518-52-8), with molecular formula C21H16N6O3S and molecular weight 432.10 g/mol. IUPAC: N-(3-nitrophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-
Property Insights of Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-
The XLogP value of 3.9683 indicates that Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-. Following Lipinski's Rule of Five, Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)- 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 Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-?
The CAS number of Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)- is 113518-52-8.
What is the molecular formula of Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-?
The molecular formula of Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)- is C21H16N6O3S.
What is the molecular weight of Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-?
The molecular weight of Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)- is 432.10 g/mol.
Where can I buy Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-?
You can request a quote for Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-(3-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.