3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate
TL;DR: 3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate (CAS 26537-49-5) is a chemical compound with molecular formula C8H14N2O2 and molecular weight 170.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-dimethylbutyl)oxadiazol-3-ium-5-olate
Also Known As: 3- sydnone, 3-(3,3-Dimethylbutyl)sydnone, Sydnone, 3-(3,3-dimethylbutyl)-, 3-(3,3-dimethylbutyl)oxadiazol-3-ium-5-olate, 3-(3,3-Dimethylbutyl)-1,2,3-oxadiazol-3-ium-5-olate
| Molecular Formula | C8H14N2O2 |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.10553 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 26537-49-5 |
|---|---|
| SMILES | CC(C)(C)CC[N+]1=NOC(=C1)[O-] |
| InChIKey | XJWYCOCLYCBSTM-UHFFFAOYSA-N |
Product Overview
3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate (CAS 26537-49-5), with molecular formula C8H14N2O2 and molecular weight 170.11 g/mol. IUPAC: 3-(3,3-dimethylbutyl)oxadiazol-3-ium-5-olate.
Chemical Property Profile of 3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate
Property Insights of 3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate
The XLogP value of 3.2 indicates that 3-(3,3-Dimethylbutyl)oxadiazol-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-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,3-Dimethylbutyl)oxadiazol-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-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate?
The CAS number of 3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate is 26537-49-5.
What is the molecular formula of 3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate?
The molecular formula of 3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate is C8H14N2O2.
What is the molecular weight of 3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate?
The molecular weight of 3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate is 170.11 g/mol.
Where can I buy 3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate?
You can request a quote for 3-(3,3-Dimethylbutyl)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-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,3-Dimethylbutyl)oxadiazol-3-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.