4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate
TL;DR: 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate (CAS 24660-47-7) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate
Also Known As: 4-methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate, 3-METHYL-2-PHENYL-1,3,4-OXADIAZOL-3-IUM-5-OLATE, 4-methyl-5-phenyl-1-oxa-3-aza-4-azoniacyclopenta-2,4-dien-2-olate, RefChem:294382
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 0.2397 |
| Topological Polar Surface Area | 52.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 408.80798 |
Chemical Identifiers
| CAS Number | 24660-47-7 |
|---|---|
| SMILES | C[N+]1=C(OC(=N1)[O-])C2=CC=CC=C2 |
Product Overview
4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate (CAS 24660-47-7), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 4-methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate.
Chemical Property Profile of 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate
Property Insights of 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate
The XLogP value of 0.2397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate. With a topological polar surface area (TPSA) of 52.97 Ų, 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-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 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate?
The CAS number of 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate is 24660-47-7.
What is the molecular formula of 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate?
The molecular formula of 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate is C9H8N2O2.
What is the molecular weight of 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate?
The molecular weight of 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate is 176.06 g/mol.
Where can I buy 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate?
You can request a quote for 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-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 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-phenyl-1,3,4-oxadiazol-4-ium-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.