A1682/0071780
TL;DR: A1682/0071780 (CAS 340176-35-4) is a chemical compound with molecular formula C15H12N14O6 and molecular weight 484.11 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)-5-(4-nitrophenyl)-N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]triazole-4-carboxamide
Also Known As: A1682/0071780, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(5-nitro-2H-tetrazol-2-yl)propan-2-ylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(2E)-1-(5-nitro-2H-tetrazol-2-yl)propan-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]triazole-4-carboxamide
| Molecular Formula | C15H12N14O6 |
|---|---|
| Molecular Weight | 484.11 g/mol |
| LogP | -0.4917 |
| Topological Polar Surface Area | 266.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.1064 |
| Heavy Atoms | 35 |
| Complexity | 1450.8846 |
Chemical Identifiers
| CAS Number | 340176-35-4 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=C(C=C3)[N+](=O)[O-])/CN4N=C(N=N4)[N+](=O)[O-] |
Product Overview
A1682/0071780 (CAS 340176-35-4), with molecular formula C15H12N14O6 and molecular weight 484.11 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]triazole-4-carboxamide.
Chemical Property Profile of A1682/0071780
Property Insights of A1682/0071780
The XLogP value of -0.4917 indicates that A1682/0071780 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.99 Ų indicates high polarity, suggesting A1682/0071780 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A1682/0071780 has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1682/0071780?
The CAS number of A1682/0071780 is 340176-35-4.
What is the molecular formula of A1682/0071780?
The molecular formula of A1682/0071780 is C15H12N14O6.
What is the molecular weight of A1682/0071780?
The molecular weight of A1682/0071780 is 484.11 g/mol.
Where can I buy A1682/0071780?
You can request a quote for A1682/0071780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1682/0071780?
Yes, KEHONG BIO provides custom synthesis services for A1682/0071780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.