(E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide
TL;DR: (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide (CAS 799828-31-2) is a chemical compound with molecular formula C15H12BrN11O3 and molecular weight 473.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(E)-(4-bromophenyl)methylideneamino]acetamide
Also Known As: (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide, 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(E)-(4-bromophenyl)methylideneamino]acetamide, 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl]-N'-[(E)-(4-bromophenyl)methylidene]acetohydrazide
| Molecular Formula | C15H12BrN11O3 |
|---|---|
| Molecular Weight | 473.03 g/mol |
| LogP | 0.4553 |
| Topological Polar Surface Area | 202.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.0308 |
| Heavy Atoms | 30 |
| Complexity | 1210.8911 |
Chemical Identifiers
| CAS Number | 799828-31-2 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/NC(=O)CN2C(=NC(=N2)C3=NON=C3N)C4=NON=C4N)Br |
Product Overview
(E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide (CAS 799828-31-2), with molecular formula C15H12BrN11O3 and molecular weight 473.03 g/mol. IUPAC: 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(E)-(4-bromophenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide
Property Insights of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide
The XLogP value of 0.4553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide. The TPSA of 202.05 Ų indicates high polarity, suggesting (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide has 3 hydrogen bond donor(s) and 12 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-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide?
The CAS number of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide is 799828-31-2.
What is the molecular formula of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide?
The molecular formula of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide is C15H12BrN11O3.
What is the molecular weight of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide?
The molecular weight of (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide is 473.03 g/mol.
Where can I buy (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide?
You can request a quote for (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl)-N'-(4-bromobenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.