(E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate
TL;DR: (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate (CAS 877796-25-3) is a chemical compound with molecular formula C23H22N8O5 and molecular weight 490.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate, methyl 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate, methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate
| Molecular Formula | C23H22N8O5 |
|---|---|
| Molecular Weight | 490.17 g/mol |
| LogP | 2.2388 |
| Topological Polar Surface Area | 172.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.17133 |
| Heavy Atoms | 36 |
| Complexity | 1376.5172 |
Chemical Identifiers
| CAS Number | 877796-25-3 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=C(C=C4)C(=O)OC |
Product Overview
(E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate (CAS 877796-25-3), with molecular formula C23H22N8O5 and molecular weight 490.17 g/mol. IUPAC: methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate
Property Insights of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate
The XLogP value of 2.2388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate. The TPSA of 172.64 Ų indicates high polarity, suggesting (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate?
The CAS number of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate is 877796-25-3.
What is the molecular formula of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate?
The molecular formula of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate is C23H22N8O5.
What is the molecular weight of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate?
The molecular weight of (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate is 490.17 g/mol.
Where can I buy (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate?
You can request a quote for (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.