N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide
TL;DR: N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide (CAS 678985-59-6) is a chemical compound with molecular formula C15H11N7O3S and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylideneamino]pyridine-4-carboxamide
Also Known As: N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide, N-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylideneamino]pyridine-4-carboxamide, N-[[3-nitro-4-(2H-1,2,4-triazol-3-ylsulfanyl)phenyl]methylideneamino]pyridine-4-carboxamide
| Molecular Formula | C15H11N7O3S |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 2.023 |
| Topological Polar Surface Area | 139.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.06442 |
| Heavy Atoms | 26 |
| Complexity | 945.13855 |
Chemical Identifiers
| CAS Number | 678985-59-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=NNC(=O)C2=CC=NC=C2)[N+](=O)[O-])SC3=NC=NN3 |
Product Overview
N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide (CAS 678985-59-6), with molecular formula C15H11N7O3S and molecular weight 369.06 g/mol. IUPAC: N-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylideneamino]pyridine-4-carboxamide.
Chemical Property Profile of N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide
Property Insights of N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide
The XLogP value of 2.023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide. The TPSA of 139.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide. Following Lipinski's Rule of Five, N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide has 2 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 N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide?
The CAS number of N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide is 678985-59-6.
What is the molecular formula of N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide?
The molecular formula of N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide is C15H11N7O3S.
What is the molecular weight of N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide?
The molecular weight of N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide is 369.06 g/mol.
Where can I buy N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide?
You can request a quote for N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(4-((4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)isonicotinohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.