(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 587007-85-0) is a chemical compound with molecular formula C18H16N8O3S and molecular weight 424.11 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)-N-[(E)-1-(furan-2-yl)ethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(furan-2-yl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide
| Molecular Formula | C18H16N8O3S |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 2.2718 |
| Topological Polar Surface Area | 150.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.1066 |
| Heavy Atoms | 30 |
| Complexity | 1167.5027 |
Chemical Identifiers
| CAS Number | 587007-85-0 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=C3)/C4=CC=CO4 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 587007-85-0), with molecular formula C18H16N8O3S and molecular weight 424.11 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-5-(phenylsulfanylmethyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.2718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 150.25 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-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)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-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)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 587007-85-0.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C18H16N8O3S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 424.11 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-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)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-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)-N'-(1-(furan-2-yl)ethylidene)-5-((phenylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.