(E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate
TL;DR: (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate (CAS 836624-70-5) is a chemical compound with molecular formula C21H17ClN8O5 and molecular weight 496.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]hydrazinylidene]methyl]-6-methoxyphenyl] 4-chlorobenzoate
Also Known As: (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate, [2-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]hydrazinylidene]methyl]-6-methoxyphenyl] 4-chlorobenzoate, 2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-6-methoxyphenyl 4-chlorobenzoate
| Molecular Formula | C21H17ClN8O5 |
|---|---|
| Molecular Weight | 496.10 g/mol |
| LogP | 2.18602 |
| Topological Polar Surface Area | 172.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.10104 |
| Heavy Atoms | 35 |
| Complexity | 1413.5983 |
Chemical Identifiers
| CAS Number | 836624-70-5 |
|---|---|
| SMILES | CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=C(C(=CC=C3)OC)OC(=O)C4=CC=C(C=C4)Cl |
Product Overview
(E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate (CAS 836624-70-5), with molecular formula C21H17ClN8O5 and molecular weight 496.10 g/mol. IUPAC: [2-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carbonyl]hydrazinylidene]methyl]-6-methoxyphenyl] 4-chlorobenzoate.
Chemical Property Profile of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate
Property Insights of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate
The XLogP value of 2.18602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate. The TPSA of 172.64 Ų indicates high polarity, suggesting (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate 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)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate?
The CAS number of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate is 836624-70-5.
What is the molecular formula of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate?
The molecular formula of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate is C21H17ClN8O5.
What is the molecular weight of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate?
The molecular weight of (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate is 496.10 g/mol.
Where can I buy (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate?
You can request a quote for (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-6-methoxyphenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.