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 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C9H7N3O3 |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 0.0739 |
| Topological Polar Surface Area | 96.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.04874 |
| Heavy Atoms | 15 |
| Complexity | 492.5586 |
Chemical Identifiers
| CAS Number | 125520-59-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NO[N+](=C2C(=O)N)[O-] |
Product Overview
3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate (CAS 125520-59-4), with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol. IUPAC: 2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carboxamide.
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 0.0739 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 96.06 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
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 205.05 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbamoyl-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate?
Yes, KEHONG BIO 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.