8321AE
TL;DR: 8321AE (CAS 696628-79-2) is a chemical compound with molecular formula C11H7FN6O3 and molecular weight 290.06 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-fluorophenyl)triazole-4-carboxylic acid
Also Known As: 8321AE, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-(FLUOROPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-fluorophenyl)triazole-4-carboxylic acid, A3393/0143965, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid
| Molecular Formula | C11H7FN6O3 |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 0.7368 |
| Topological Polar Surface Area | 132.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.05637 |
| Heavy Atoms | 21 |
| Complexity | 809.73535 |
Chemical Identifiers
| CAS Number | 696628-79-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(N=NN2C3=NON=C3N)C(=O)O)F |
Product Overview
8321AE (CAS 696628-79-2), with molecular formula C11H7FN6O3 and molecular weight 290.06 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-fluorophenyl)triazole-4-carboxylic acid.
Chemical Property Profile of 8321AE
Property Insights of 8321AE
The XLogP value of 0.7368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8321AE. The TPSA of 132.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 8321AE. Following Lipinski's Rule of Five, 8321AE has 2 hydrogen bond donor(s) and 7 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 8321AE?
The CAS number of 8321AE is 696628-79-2.
What is the molecular formula of 8321AE?
The molecular formula of 8321AE is C11H7FN6O3.
What is the molecular weight of 8321AE?
The molecular weight of 8321AE is 290.06 g/mol.
Where can I buy 8321AE?
You can request a quote for 8321AE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8321AE?
Yes, KEHONG BIO provides custom synthesis services for 8321AE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.