1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt
TL;DR: 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt (CAS 120-06-9) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyloxadiazol-3-ium-5-olate
Also Known As: 3-Phenylsydnone, N-Phenylsydnone, Phenylsydnone, Sydnone, 3-phenyl-, N-phenyl sydnone
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| Solubility | 2.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 120-06-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[N+]2=NOC(=C2)[O-] |
| InChIKey | KQEVEDHJIGSXDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt (CAS 120-06-9), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: 3-phenyloxadiazol-3-ium-5-olate.
Chemical Property Profile of 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt
Property Insights of 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt. With a topological polar surface area (TPSA) of 53.0 Ų, 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt has 0 hydrogen bond donor(s) and 3 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 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt?
The CAS number of 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt is 120-06-9.
What is the molecular formula of 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt?
The molecular formula of 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt is C8H6N2O2.
What is the molecular weight of 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt?
The molecular weight of 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt is 162.04 g/mol.
Where can I buy 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt?
You can request a quote for 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.