A1191/0054957
TL;DR: A1191/0054957 (CAS 340803-19-2) is a chemical compound with molecular formula C13H11BrN8O2 and molecular weight 390.02 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)-(3-bromophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
Also Known As: A1191/0054957, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromophenyl)methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-bromobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-bromophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
| Molecular Formula | C13H11BrN8O2 |
|---|---|
| Molecular Weight | 390.02 g/mol |
| LogP | 1.06732 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.01883 |
| Heavy Atoms | 24 |
| Complexity | 916.3449 |
Chemical Identifiers
| CAS Number | 340803-19-2 |
|---|---|
| SMILES | CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC(=CC=C3)Br |
Product Overview
A1191/0054957 (CAS 340803-19-2), with molecular formula C13H11BrN8O2 and molecular weight 390.02 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-bromophenyl)methylideneamino]-5-methyltriazole-4-carboxamide.
Chemical Property Profile of A1191/0054957
Property Insights of A1191/0054957
The XLogP value of 1.06732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1191/0054957. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for A1191/0054957. Following Lipinski's Rule of Five, A1191/0054957 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 A1191/0054957?
The CAS number of A1191/0054957 is 340803-19-2.
What is the molecular formula of A1191/0054957?
The molecular formula of A1191/0054957 is C13H11BrN8O2.
What is the molecular weight of A1191/0054957?
The molecular weight of A1191/0054957 is 390.02 g/mol.
Where can I buy A1191/0054957?
You can request a quote for A1191/0054957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1191/0054957?
Yes, KEHONG BIO provides custom synthesis services for A1191/0054957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.