3-Naphthalen-2-yloxadiazol-3-ium-5-olate
TL;DR: 3-Naphthalen-2-yloxadiazol-3-ium-5-olate (CAS 20600-68-4) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-naphthalen-2-yloxadiazol-3-ium-5-olate
Also Known As: N-(2-naphthyl)sydnone, 3-(2-Naphthyl)sydnone, Sydnone, 3-(2-naphthyl)-, 3-naphthalen-2-yl-sydnone, 3-naphthalen-2-yloxadiazol-3-ium-5-olate
| Molecular Formula | C12H8N2O2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.05858 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 20600-68-4 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)[N+]3=NOC(=C3)[O-] |
| InChIKey | ZKDMASAOLMIRQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Naphthalen-2-yloxadiazol-3-ium-5-olate (CAS 20600-68-4), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: 3-naphthalen-2-yloxadiazol-3-ium-5-olate.
Chemical Property Profile of 3-Naphthalen-2-yloxadiazol-3-ium-5-olate
Property Insights of 3-Naphthalen-2-yloxadiazol-3-ium-5-olate
The XLogP value of 4.1 indicates that 3-Naphthalen-2-yloxadiazol-3-ium-5-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 3-Naphthalen-2-yloxadiazol-3-ium-5-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Naphthalen-2-yloxadiazol-3-ium-5-olate 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 3-Naphthalen-2-yloxadiazol-3-ium-5-olate?
The CAS number of 3-Naphthalen-2-yloxadiazol-3-ium-5-olate is 20600-68-4.
What is the molecular formula of 3-Naphthalen-2-yloxadiazol-3-ium-5-olate?
The molecular formula of 3-Naphthalen-2-yloxadiazol-3-ium-5-olate is C12H8N2O2.
What is the molecular weight of 3-Naphthalen-2-yloxadiazol-3-ium-5-olate?
The molecular weight of 3-Naphthalen-2-yloxadiazol-3-ium-5-olate is 212.06 g/mol.
Where can I buy 3-Naphthalen-2-yloxadiazol-3-ium-5-olate?
You can request a quote for 3-Naphthalen-2-yloxadiazol-3-ium-5-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Naphthalen-2-yloxadiazol-3-ium-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-Naphthalen-2-yloxadiazol-3-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.