1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide (CAS 339994-81-9) is a chemical compound with molecular formula C21H23N9O4 and molecular weight 465.19 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-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-5-(3-nitrophenyl)triazole-4-carboxamide
Also Known As: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide, A1432/0063625, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E,2E)-3,7-dimethylocta-2,6-dien-1-ylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-5-(3-nitrophenyl)triazole-4-carboxamide
| Molecular Formula | C21H23N9O4 |
|---|---|
| Molecular Weight | 465.19 g/mol |
| LogP | 3.216 |
| Topological Polar Surface Area | 180.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.1873 |
| Heavy Atoms | 34 |
| Complexity | 1282.9071 |
Chemical Identifiers
| CAS Number | 339994-81-9 |
|---|---|
| SMILES | CC(=CCC/C(=C/C=N/NC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=CC=C3)[N+](=O)[O-])/C)C |
Product Overview
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide (CAS 339994-81-9), with molecular formula C21H23N9O4 and molecular weight 465.19 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-5-(3-nitrophenyl)triazole-4-carboxamide.
Chemical Property Profile of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 3.216 indicates that 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.25 Ų indicates high polarity, suggesting 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 10 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 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide is 339994-81-9.
What is the molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide is C21H23N9O4.
What is the molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide is 465.19 g/mol.
Where can I buy 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-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 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,7-dimethyl-2,6-octadienylidene)-5-{3-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.