(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 799768-87-9) is a chemical compound with molecular formula C24H27N9O2 and molecular weight 473.23 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-(anilinomethyl)-N-[(E)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(E)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(1E)-1-[4-(2-methylpropyl)phenyl]ethylidene}-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C24H27N9O2 |
|---|---|
| Molecular Weight | 473.23 g/mol |
| LogP | 3.1971 |
| Topological Polar Surface Area | 149.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.22876 |
| Heavy Atoms | 35 |
| Complexity | 1308.5355 |
Chemical Identifiers
| CAS Number | 799768-87-9 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)/C(=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CNC4=CC=CC=C4)/C |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 799768-87-9), with molecular formula C24H27N9O2 and molecular weight 473.23 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(E)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 3.1971 indicates that (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.14 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)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-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide has 3 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)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 799768-87-9.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C24H27N9O2.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 473.23 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-isobutylphenyl)ethylidene)-5-((phenylamino)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-(4-isobutylphenyl)ethylidene)-5-((phenylamino)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-(4-isobutylphenyl)ethylidene)-5-((phenylamino)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-(4-isobutylphenyl)ethylidene)-5-((phenylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.