(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 899388-95-5) is a chemical compound with molecular formula C20H20N8O3S and molecular weight 452.14 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)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-(4-propoxyphenyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-(4-propoxyphenyl)triazole-4-carboxamide
| Molecular Formula | C20H20N8O3S |
|---|---|
| Molecular Weight | 452.14 g/mol |
| LogP | 2.82212 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.1379 |
| Heavy Atoms | 32 |
| Complexity | 1242.021 |
Chemical Identifiers
| CAS Number | 899388-95-5 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=C(C=CS4)C |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 899388-95-5), with molecular formula C20H20N8O3S and molecular weight 452.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-(4-propoxyphenyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.82212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 146.34 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-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'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-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'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide is 899388-95-5.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide is C20H20N8O3S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide is 452.14 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-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'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-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'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.