Phenacyl nitrone
TL;DR: Phenacyl nitrone (CAS 7145-48-4) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxyimino-1-phenylpropan-1-one
Also Known As: phenacyl nitrone, 3-hydroxyimino-1-phenylpropan-1-one, 3-(hydroxyimino)-1-phenylpropan-1-one, (3E)-3-hydroxyimino-1-phenylpropan-1-one
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 7145-48-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC=NO |
| InChIKey | VTUNWGJEGRRTQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenacyl nitrone (CAS 7145-48-4), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 3-hydroxyimino-1-phenylpropan-1-one.
Chemical Property Profile of Phenacyl nitrone
Property Insights of Phenacyl nitrone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenacyl nitrone. With a topological polar surface area (TPSA) of 49.7 Ų, Phenacyl nitrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenacyl nitrone has 1 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 Phenacyl nitrone?
The CAS number of Phenacyl nitrone is 7145-48-4.
What is the molecular formula of Phenacyl nitrone?
The molecular formula of Phenacyl nitrone is C9H9NO2.
What is the molecular weight of Phenacyl nitrone?
The molecular weight of Phenacyl nitrone is 163.06 g/mol.
Where can I buy Phenacyl nitrone?
You can request a quote for Phenacyl nitrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl nitrone?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl nitrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.