4-Methyl-2-pentanone oxime
TL;DR: 4-Methyl-2-pentanone oxime (CAS 105-44-2) is a chemical compound with molecular formula C6H13NO and molecular weight 115.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylpentan-2-ylidene)hydroxylamine
Also Known As: 4-Methyl-2-pentanone oxime, Methyl isobutyl ketoxime, Methyl isobutyl oxime, 2-Methyl-4-pentanone oxime, Isopropylacetone Oxime
| Molecular Formula | C6H13NO |
|---|---|
| Molecular Weight | 115.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.09972 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 105-44-2 |
|---|---|
| SMILES | CC(C)CC(=NO)C |
| InChIKey | ZKALVNREMFLWAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-2-pentanone oxime (CAS 105-44-2), with molecular formula C6H13NO and molecular weight 115.10 g/mol. IUPAC: N-(4-methylpentan-2-ylidene)hydroxylamine.
Chemical Property Profile of 4-Methyl-2-pentanone oxime
Property Insights of 4-Methyl-2-pentanone oxime
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-pentanone oxime. With a topological polar surface area (TPSA) of 32.6 Ų, 4-Methyl-2-pentanone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-pentanone 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 4-Methyl-2-pentanone oxime?
The CAS number of 4-Methyl-2-pentanone oxime is 105-44-2.
What is the molecular formula of 4-Methyl-2-pentanone oxime?
The molecular formula of 4-Methyl-2-pentanone oxime is C6H13NO.
What is the molecular weight of 4-Methyl-2-pentanone oxime?
The molecular weight of 4-Methyl-2-pentanone oxime is 115.10 g/mol.
Where can I buy 4-Methyl-2-pentanone oxime?
You can request a quote for 4-Methyl-2-pentanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-pentanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-pentanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.