A1408/0062913
TL;DR: A1408/0062913 (CAS 339340-03-3) is a chemical compound with molecular formula C18H12BrFN8O2 and molecular weight 470.03 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)-(5-bromo-2-fluorophenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
Also Known As: A1408/0062913, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(5-bromo-2-fluorobenzylidene)-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(5-bromo-2-fluorobenzylidene)-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
| Molecular Formula | C18H12BrFN8O2 |
|---|---|
| Molecular Weight | 470.03 g/mol |
| LogP | 2.565 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.02505 |
| Heavy Atoms | 30 |
| Complexity | 1238.2296 |
Chemical Identifiers
| CAS Number | 339340-03-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=C(C=CC(=C4)Br)F |
Product Overview
A1408/0062913 (CAS 339340-03-3), with molecular formula C18H12BrFN8O2 and molecular weight 470.03 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-5-phenyltriazole-4-carboxamide.
Chemical Property Profile of A1408/0062913
Property Insights of A1408/0062913
The XLogP value of 2.565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1408/0062913. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for A1408/0062913. Following Lipinski's Rule of Five, A1408/0062913 has 2 hydrogen bond donor(s) and 8 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 A1408/0062913?
The CAS number of A1408/0062913 is 339340-03-3.
What is the molecular formula of A1408/0062913?
The molecular formula of A1408/0062913 is C18H12BrFN8O2.
What is the molecular weight of A1408/0062913?
The molecular weight of A1408/0062913 is 470.03 g/mol.
Where can I buy A1408/0062913?
You can request a quote for A1408/0062913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1408/0062913?
Yes, KEHONG BIO provides custom synthesis services for A1408/0062913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.