2,4-Dimethylpentan-3-one oxime
TL;DR: 2,4-Dimethylpentan-3-one oxime (CAS 1113-74-2) is a chemical compound with molecular formula C7H15NO and molecular weight 129.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethylpentan-3-ylidene)hydroxylamine
Also Known As: 2,4-Dimethylpentan-3-one oxime, methylethylketoxim, diisopropyl ketoxime, 2,4-Dimethyl-3-pentanone oxime, Diisopropyl ketoneoxime
| Molecular Formula | C7H15NO |
|---|---|
| Molecular Weight | 129.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.11537 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 1113-74-2 |
|---|---|
| SMILES | CC(C)C(=NO)C(C)C |
| InChIKey | PULCKIYKBGOTTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethylpentan-3-one oxime (CAS 1113-74-2), with molecular formula C7H15NO and molecular weight 129.12 g/mol. IUPAC: N-(2,4-dimethylpentan-3-ylidene)hydroxylamine.
Chemical Property Profile of 2,4-Dimethylpentan-3-one oxime
Property Insights of 2,4-Dimethylpentan-3-one oxime
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylpentan-3-one oxime. With a topological polar surface area (TPSA) of 32.6 Ų, 2,4-Dimethylpentan-3-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylpentan-3-one 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 2,4-Dimethylpentan-3-one oxime?
The CAS number of 2,4-Dimethylpentan-3-one oxime is 1113-74-2.
What is the molecular formula of 2,4-Dimethylpentan-3-one oxime?
The molecular formula of 2,4-Dimethylpentan-3-one oxime is C7H15NO.
What is the molecular weight of 2,4-Dimethylpentan-3-one oxime?
The molecular weight of 2,4-Dimethylpentan-3-one oxime is 129.12 g/mol.
Where can I buy 2,4-Dimethylpentan-3-one oxime?
You can request a quote for 2,4-Dimethylpentan-3-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylpentan-3-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylpentan-3-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.