Phenylacetone oxime
TL;DR: Phenylacetone oxime (CAS 13213-36-0) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-phenylpropan-2-ylidene)hydroxylamine
Also Known As: Phenylacetone oxime, Benzyl methyl ketoxime, 1-phenylpropan-2-one oxime, 2-Propanone, 1-phenyl-, oxime, 1-Phenyl-2-propanone oxime
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 13213-36-0 |
|---|---|
| SMILES | CC(=NO)CC1=CC=CC=C1 |
| InChIKey | AUYFJUMCPAMOKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylacetone oxime (CAS 13213-36-0), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: N-(1-phenylpropan-2-ylidene)hydroxylamine.
Chemical Property Profile of Phenylacetone oxime
Property Insights of Phenylacetone oxime
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylacetone oxime. With a topological polar surface area (TPSA) of 32.6 Ų, Phenylacetone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylacetone oxime has 1 hydrogen bond donor(s) and 2 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 Phenylacetone oxime?
The CAS number of Phenylacetone oxime is 13213-36-0.
What is the molecular formula of Phenylacetone oxime?
The molecular formula of Phenylacetone oxime is C9H11NO.
What is the molecular weight of Phenylacetone oxime?
The molecular weight of Phenylacetone oxime is 149.08 g/mol.
Where can I buy Phenylacetone oxime?
You can request a quote for Phenylacetone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylacetone oxime?
Yes, KEHONG BIO provides custom synthesis services for Phenylacetone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.