(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 862104-39-0) is a chemical compound with molecular formula C18H19N11O3S and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-phenoxypropan-2-ylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-phenoxypropan-2-ylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N'-[(2E)-1-phenoxypropan-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C18H19N11O3S |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 0.838 |
| Topological Polar Surface Area | 177.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.1393 |
| Heavy Atoms | 33 |
| Complexity | 1264.6708 |
Chemical Identifiers
| CAS Number | 862104-39-0 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=CN3C)/COC4=CC=CC=C4 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 862104-39-0), with molecular formula C18H19N11O3S and molecular weight 469.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-phenoxypropan-2-ylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 0.838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 177.05 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 862104-39-0.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is C18H19N11O3S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 469.14 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.