A1191/0054961
TL;DR: A1191/0054961 (CAS 326899-98-3) is a chemical compound with molecular formula C19H15FN8O2 and molecular weight 406.13 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)-1-(4-fluorophenyl)ethylideneamino]-5-phenyltriazole-4-carboxamide
Also Known As: A1191/0054961, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-fluorophenyl)ethylidene)-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(4-fluorophenyl)ethylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-5-phenyltriazole-4-carboxamide
| Molecular Formula | C19H15FN8O2 |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 2.1926 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.1302 |
| Heavy Atoms | 30 |
| Complexity | 1215.0825 |
Chemical Identifiers
| CAS Number | 326899-98-3 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CC=C3)/C4=CC=C(C=C4)F |
Product Overview
A1191/0054961 (CAS 326899-98-3), with molecular formula C19H15FN8O2 and molecular weight 406.13 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-5-phenyltriazole-4-carboxamide.
Chemical Property Profile of A1191/0054961
Property Insights of A1191/0054961
The XLogP value of 2.1926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1191/0054961. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for A1191/0054961. Following Lipinski's Rule of Five, A1191/0054961 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 A1191/0054961?
The CAS number of A1191/0054961 is 326899-98-3.
What is the molecular formula of A1191/0054961?
The molecular formula of A1191/0054961 is C19H15FN8O2.
What is the molecular weight of A1191/0054961?
The molecular weight of A1191/0054961 is 406.13 g/mol.
Where can I buy A1191/0054961?
You can request a quote for A1191/0054961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1191/0054961?
Yes, KEHONG BIO provides custom synthesis services for A1191/0054961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.