(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 842965-28-0) is a chemical compound with molecular formula C13H14N8O2S and molecular weight 346.10 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-propan-2-yl-N-[(E)-thiophen-3-ylmethylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(propan-2-yl)-N'-[(E)-thiophen-3-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-[(E)-thiophen-3-ylmethylideneamino]triazole-4-carboxamide
| Molecular Formula | C13H14N8O2S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 1.1813 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.09604 |
| Heavy Atoms | 24 |
| Complexity | 864.5602 |
Chemical Identifiers
| CAS Number | 842965-28-0 |
|---|---|
| SMILES | CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CSC=C3 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 842965-28-0), with molecular formula C13H14N8O2S and molecular weight 346.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-[(E)-thiophen-3-ylmethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.1813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 9 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 (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide is 842965-28-0.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide is C13H14N8O2S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide is 346.10 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-N'-(thiophen-3-ylmethylene)-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-isopropyl-N'-(thiophen-3-ylmethylene)-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-isopropyl-N'-(thiophen-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.