(Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate
TL;DR: (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate (CAS 836633-49-9) is a chemical compound with molecular formula C27H22N8O5 and molecular weight 538.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-N-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)triazole-4-carbonyl]amino]-C-methylcarbonimidoyl]phenyl] benzoate
Also Known As: (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate, [4-[(Z)-N-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)triazole-4-carbonyl]amino]-C-methylcarbonimidoyl]phenyl] benzoate, 4-[(1Z)-1-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenyl benzoate
| Molecular Formula | C27H22N8O5 |
|---|---|
| Molecular Weight | 538.17 g/mol |
| LogP | 3.1847 |
| Topological Polar Surface Area | 172.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 538.1713 |
| Heavy Atoms | 40 |
| Complexity | 1647.5347 |
Chemical Identifiers
| CAS Number | 836633-49-9 |
|---|---|
| SMILES | C/C(=N/NC(=O)C1=C(N(N=N1)C2=NON=C2N)COC3=CC=CC=C3)/C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5 |
Product Overview
(Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate (CAS 836633-49-9), with molecular formula C27H22N8O5 and molecular weight 538.17 g/mol. IUPAC: [4-[(Z)-N-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)triazole-4-carbonyl]amino]-C-methylcarbonimidoyl]phenyl] benzoate.
Chemical Property Profile of (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate
Property Insights of (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate
The XLogP value of 3.1847 indicates that (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.64 Ų indicates high polarity, suggesting (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl 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 (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate?
The CAS number of (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate is 836633-49-9.
What is the molecular formula of (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate?
The molecular formula of (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate is C27H22N8O5.
What is the molecular weight of (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate?
The molecular weight of (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate is 538.17 g/mol.
Where can I buy (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate?
You can request a quote for (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.