(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 488706-83-8) is a chemical compound with molecular formula C17H21N9O2S and molecular weight 415.15 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-methylpiperidin-1-yl)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-yl)methyl]-N'-[(E)-thiophen-2-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-yl)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide
| Molecular Formula | C17H21N9O2S |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 1.2898 |
| Topological Polar Surface Area | 140.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.1539 |
| Heavy Atoms | 29 |
| Complexity | 986.645 |
Chemical Identifiers
| CAS Number | 488706-83-8 |
|---|---|
| SMILES | CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=CS4 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 488706-83-8), with molecular formula C17H21N9O2S and molecular weight 415.15 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-yl)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.2898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 140.35 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-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-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 10 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-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide is 488706-83-8.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide is C17H21N9O2S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide is 415.15 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-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-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-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-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-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-((4-methylpiperidin-1-yl)methyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.