2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide
TL;DR: 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide (CAS 348588-79-4) is a chemical compound with molecular formula C16H13ClN6O3S2 and molecular weight 436.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
Also Known As: 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide, 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide, 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[(5-nitro-2-thiophenyl)methylideneamino]acetamide
| Molecular Formula | C16H13ClN6O3S2 |
|---|---|
| Molecular Weight | 436.02 g/mol |
| LogP | 3.3476 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.0179 |
| Heavy Atoms | 28 |
| Complexity | 1031.4365 |
Chemical Identifiers
| CAS Number | 348588-79-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-])C3=CC=C(C=C3)Cl |
Product Overview
2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide (CAS 348588-79-4), with molecular formula C16H13ClN6O3S2 and molecular weight 436.02 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide.
Chemical Property Profile of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide
Property Insights of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide
The XLogP value of 3.3476 indicates that 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide. Following Lipinski's Rule of Five, 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide has 1 hydrogen bond donor(s) and 8 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-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide?
The CAS number of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide is 348588-79-4.
What is the molecular formula of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide?
The molecular formula of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide is C16H13ClN6O3S2.
What is the molecular weight of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide?
The molecular weight of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide is 436.02 g/mol.
Where can I buy 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide?
You can request a quote for 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.