(Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 836635-28-0) is a chemical compound with molecular formula C22H22N8O5 and molecular weight 478.17 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)-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
Also Known As: (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-1-(3,4-dimethoxyphenyl)ethylidene]-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
| Molecular Formula | C22H22N8O5 |
|---|---|
| Molecular Weight | 478.17 g/mol |
| LogP | 1.9827 |
| Topological Polar Surface Area | 164.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.17133 |
| Heavy Atoms | 35 |
| Complexity | 1349.1473 |
Chemical Identifiers
| CAS Number | 836635-28-0 |
|---|---|
| SMILES | C/C(=N/NC(=O)C1=C(N(N=N1)C2=NON=C2N)COC3=CC=CC=C3)/C4=CC(=C(C=C4)OC)OC |
Product Overview
(Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 836635-28-0), with molecular formula C22H22N8O5 and molecular weight 478.17 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide.
Chemical Property Profile of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.9827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 164.8 Ų indicates high polarity, suggesting (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide 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)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide is 836635-28-0.
What is the molecular formula of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide is C22H22N8O5.
What is the molecular weight of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide is 478.17 g/mol.
Where can I buy (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-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 (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.