A1378/0061709
TL;DR: A1378/0061709 (CAS 339336-85-5) is a chemical compound with molecular formula C18H12N10O6 and molecular weight 464.09 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)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide
Also Known As: A1378/0061709, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{3-nitrobenzylidene}-5-{4-nitrophenyl}-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(E)-(3-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide
| Molecular Formula | C18H12N10O6 |
|---|---|
| Molecular Weight | 464.09 g/mol |
| LogP | 1.4798 |
| Topological Polar Surface Area | 223.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.09412 |
| Heavy Atoms | 34 |
| Complexity | 1425.2644 |
Chemical Identifiers
| CAS Number | 339336-85-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
A1378/0061709 (CAS 339336-85-5), with molecular formula C18H12N10O6 and molecular weight 464.09 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of A1378/0061709
Property Insights of A1378/0061709
The XLogP value of 1.4798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1378/0061709. The TPSA of 223.39 Ų indicates high polarity, suggesting A1378/0061709 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A1378/0061709 has 2 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 A1378/0061709?
The CAS number of A1378/0061709 is 339336-85-5.
What is the molecular formula of A1378/0061709?
The molecular formula of A1378/0061709 is C18H12N10O6.
What is the molecular weight of A1378/0061709?
The molecular weight of A1378/0061709 is 464.09 g/mol.
Where can I buy A1378/0061709?
You can request a quote for A1378/0061709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1378/0061709?
Yes, KEHONG BIO provides custom synthesis services for A1378/0061709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.