2-Hydroxy-5-methylphenyl methyl ketone oxime
TL;DR: 2-Hydroxy-5-methylphenyl methyl ketone oxime (CAS 3973-90-8) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-hydroxy-C-methylcarbonimidoyl)-4-methylphenol
Also Known As: 2-hydroxy-5-methylphenyl-1-ethaneoxime, 2-hydroxy-5-methylphenyl methyl ketone oxime, Ethanone, 1-(2-hydroxy-5-methylphenyl)-, oxime, 6-[1-(hydroxyamino)ethylidene]-4-methylcyclohexa-2,4-dien-1-one
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 3973-90-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C(=NO)C |
| InChIKey | XTKCAANLZVJHCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-5-methylphenyl methyl ketone oxime (CAS 3973-90-8), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 2-(N-hydroxy-C-methylcarbonimidoyl)-4-methylphenol.
Chemical Property Profile of 2-Hydroxy-5-methylphenyl methyl ketone oxime
Property Insights of 2-Hydroxy-5-methylphenyl methyl ketone oxime
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-5-methylphenyl methyl ketone oxime. With a topological polar surface area (TPSA) of 52.8 Ų, 2-Hydroxy-5-methylphenyl methyl ketone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-5-methylphenyl methyl ketone oxime has 2 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-Hydroxy-5-methylphenyl methyl ketone oxime?
The CAS number of 2-Hydroxy-5-methylphenyl methyl ketone oxime is 3973-90-8.
What is the molecular formula of 2-Hydroxy-5-methylphenyl methyl ketone oxime?
The molecular formula of 2-Hydroxy-5-methylphenyl methyl ketone oxime is C9H11NO2.
What is the molecular weight of 2-Hydroxy-5-methylphenyl methyl ketone oxime?
The molecular weight of 2-Hydroxy-5-methylphenyl methyl ketone oxime is 165.08 g/mol.
Where can I buy 2-Hydroxy-5-methylphenyl methyl ketone oxime?
You can request a quote for 2-Hydroxy-5-methylphenyl methyl ketone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5-methylphenyl methyl ketone oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5-methylphenyl methyl ketone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.