3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate
TL;DR: 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate (CAS 125520-59-4) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.04874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carboxamide
Also Known As: 4-phenyl-3-furoxancarboxamide, 3-Carbamoyl-4-phenyl-furazan-2-oxide, 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate, 3-carbamoyl-4-phenyl-1,2,5-oxadiazole 2-oxide, 2-Oxy-4-phenyl-furazan-3-carboxylic acid amide
Technical Specifications
| Molecular Formula | C9H7N3O3 |
| Molecular Weight | 205.04874 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.04874 Da |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
| SMILES | C1=CC=C(C=C1)C2=NO[N+](=C2C(=O)N)[O-] |
| InChIKey | SRCWGMVFWXIPTF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate
Property Insights of 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate. Following Lipinski's Rule of Five, 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate?
The CAS number of 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate is 125520-59-4.
What is the molecular formula of 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate?
The molecular formula of 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate is C9H7N3O3.
What is the molecular weight of 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate?
The molecular weight of 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate is 205.04874 g/mol.
Where can I buy 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate?
You can request a quote for 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate?
Yes, CoreyChem provides custom synthesis services for 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.