(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 861640-01-9) is a chemical compound with molecular formula C22H21ClN8O2S and molecular weight 496.12 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-chlorophenyl)sulfanylmethyl]-N-[(E)-4-phenylbutan-2-ylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(E)-4-phenylbutan-2-ylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(2E)-4-phenylbutan-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C22H21ClN8O2S |
|---|---|
| Molecular Weight | 496.12 g/mol |
| LogP | 3.9167 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.11966 |
| Heavy Atoms | 34 |
| Complexity | 1287.999 |
Chemical Identifiers
| CAS Number | 861640-01-9 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=C(C=C3)Cl)/CCC4=CC=CC=C4 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 861640-01-9), with molecular formula C22H21ClN8O2S and molecular weight 496.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(E)-4-phenylbutan-2-ylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 3.9167 indicates that (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-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-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-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-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 861640-01-9.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-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-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is C22H21ClN8O2S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-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-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 496.12 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-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-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-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-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-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-chlorophenyl)thio)methyl)-N'-(4-phenylbutan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.