Phenylmethyloxadiazole
TL;DR: Phenylmethyloxadiazole (CAS 1198-98-7) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-phenyl-1,2,4-oxadiazole
Also Known As: 5-methyl-3-phenyl-1,2,4-oxadiazole, Phenylmethyloxadiazole, 1,2,4-Oxadiazole, 5-methyl-3-phenyl-, 5-methyl-3-phenyl-1,2,4-oxadiazol, 3-Phenyl-5-methyl-1,2,4-oxadiazole
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 1198-98-7 |
|---|---|
| SMILES | CC1=NC(=NO1)C2=CC=CC=C2 |
| InChIKey | VRRLZUXQTZOCKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylmethyloxadiazole (CAS 1198-98-7), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 5-methyl-3-phenyl-1,2,4-oxadiazole.
Chemical Property Profile of Phenylmethyloxadiazole
Property Insights of Phenylmethyloxadiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmethyloxadiazole. With a topological polar surface area (TPSA) of 38.9 Ų, Phenylmethyloxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylmethyloxadiazole 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 Phenylmethyloxadiazole?
The CAS number of Phenylmethyloxadiazole is 1198-98-7.
What is the molecular formula of Phenylmethyloxadiazole?
The molecular formula of Phenylmethyloxadiazole is C9H8N2O.
What is the molecular weight of Phenylmethyloxadiazole?
The molecular weight of Phenylmethyloxadiazole is 160.06 g/mol.
Where can I buy Phenylmethyloxadiazole?
You can request a quote for Phenylmethyloxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethyloxadiazole?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyloxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.