Methyl phenyl-1,3,4-oxadiazole
TL;DR: Methyl phenyl-1,3,4-oxadiazole (CAS 4046-03-1) 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.
2-methyl-5-phenyl-1,3,4-oxadiazole
Also Known As: 2-methyl-5-phenyl-1,3,4-oxadiazole, starbld0035953, Methyl phenyl-1,3,4-oxadiazole, TimTec1_005053, 1,3,4-Oxadiazole, 2-methyl-5-phenyl-
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.8 |
| 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 |
| Solubility | 10.8 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 4046-03-1 |
|---|---|
| SMILES | CC1=NN=C(O1)C2=CC=CC=C2 |
| InChIKey | NDQACJBDAQZPCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl phenyl-1,3,4-oxadiazole (CAS 4046-03-1), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 2-methyl-5-phenyl-1,3,4-oxadiazole.
Chemical Property Profile of Methyl phenyl-1,3,4-oxadiazole
Property Insights of Methyl phenyl-1,3,4-oxadiazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl phenyl-1,3,4-oxadiazole. With a topological polar surface area (TPSA) of 38.9 Ų, Methyl phenyl-1,3,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl phenyl-1,3,4-oxadiazole 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 Methyl phenyl-1,3,4-oxadiazole?
The CAS number of Methyl phenyl-1,3,4-oxadiazole is 4046-03-1.
What is the molecular formula of Methyl phenyl-1,3,4-oxadiazole?
The molecular formula of Methyl phenyl-1,3,4-oxadiazole is C9H8N2O.
What is the molecular weight of Methyl phenyl-1,3,4-oxadiazole?
The molecular weight of Methyl phenyl-1,3,4-oxadiazole is 160.06 g/mol.
Where can I buy Methyl phenyl-1,3,4-oxadiazole?
You can request a quote for Methyl phenyl-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phenyl-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for Methyl phenyl-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.