3-Methyl-1,2,3-oxadiazol-3-ium-5-olate
TL;DR: 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate (CAS 6939-12-4) is a chemical compound with molecular formula C3H5N2O2+ and molecular weight 101.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2H-oxadiazol-3-ium-5-one
Also Known As: 3-Methylsydnone, Sydnone, 3-methyl-, 3-Methyl-[1,2,3]oxadiazol-5-ol, 3-methyl-2H-oxadiazol-3-ium-5-one, 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate #
| Molecular Formula | C3H5N2O2+ |
|---|---|
| Molecular Weight | 101.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 101.0351 |
| Heavy Atoms | 7 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 6939-12-4 |
|---|---|
| SMILES | C[N+]1=CC(=O)ON1 |
| InChIKey | KUYNWZKDWRYCIH-UHFFFAOYSA-O |
Product Overview
3-Methyl-1,2,3-oxadiazol-3-ium-5-olate (CAS 6939-12-4), with molecular formula C3H5N2O2+ and molecular weight 101.04 g/mol. IUPAC: 3-methyl-2H-oxadiazol-3-ium-5-one.
Chemical Property Profile of 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate
Property Insights of 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate. With a topological polar surface area (TPSA) of 41.3 Ų, 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate has 1 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-Methyl-1,2,3-oxadiazol-3-ium-5-olate?
The CAS number of 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate is 6939-12-4.
What is the molecular formula of 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate?
The molecular formula of 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate is C3H5N2O2+.
What is the molecular weight of 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate?
The molecular weight of 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate is 101.04 g/mol.
Where can I buy 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate?
You can request a quote for 3-Methyl-1,2,3-oxadiazol-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-Methyl-1,2,3-oxadiazol-3-ium-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,2,3-oxadiazol-3-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.