1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone
TL;DR: 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone (CAS 80628-80-4) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-one
Also Known As: 1-(3-phenyl-1,2,4-oxadiazol-5-yl)acetone, 1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-one, 5-acetonyl-3-phenyl-1,2,4-oxadiazole, BAS 04849988, J1.492.500G
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 80628-80-4 |
|---|---|
| SMILES | CC(=O)CC1=NC(=NO1)C2=CC=CC=C2 |
| InChIKey | GJXFDOPCWOTFQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone (CAS 80628-80-4), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-one.
Chemical Property Profile of 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone
Property Insights of 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone. With a topological polar surface area (TPSA) of 56.0 Ų, 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone has 0 hydrogen bond donor(s) and 4 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 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone?
The CAS number of 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone is 80628-80-4.
What is the molecular formula of 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone?
The molecular formula of 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone is C11H10N2O2.
What is the molecular weight of 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone?
The molecular weight of 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone is 202.07 g/mol.
Where can I buy 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone?
You can request a quote for 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.