2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5
TL;DR: 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5 (CAS 879-60-7) 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.
3-methyl-5-phenyl-1,3,4-oxadiazol-2-one
Also Known As: 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5, 3-methyl-5-phenyl-1,3,4-oxadiazol-2-one, 3-Methyl-5-phenyl-1,3,4-oxadiazol-2(3H)-one, 3-methyl-5-phenyl-1,3,4-oxadiazolin-2-one, J2.973.029F
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 879-60-7 |
|---|---|
| SMILES | CN1C(=O)OC(=N1)C2=CC=CC=C2 |
| InChIKey | JBDTUVFVJKCGHG-UHFFFAOYSA-N |
Product Overview
2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5 (CAS 879-60-7), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 3-methyl-5-phenyl-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5
Property Insights of 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5. With a topological polar surface area (TPSA) of 41.9 Ų, 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5 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 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5?
The CAS number of 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5 is 879-60-7.
What is the molecular formula of 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5?
The molecular formula of 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5 is C9H8N2O2.
What is the molecular weight of 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5?
The molecular weight of 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5 is 176.06 g/mol.
Where can I buy 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5?
You can request a quote for 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-4-methyl-oxadiazol-1,3,4-one-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.