3-Methyl-5-heptanone oxime
TL;DR: 3-Methyl-5-heptanone oxime (CAS 22457-23-4) is a chemical compound with molecular formula C8H17NO and molecular weight 143.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methylheptan-3-ylidene)hydroxylamine
Also Known As: Stemone, 5-Methyl-3-heptanone oxime, 5-Methylheptan-3-one oxime, 3-Methyl-5-heptanone oxime, Ethyl 2-methylbutyl ketoxime
| Molecular Formula | C8H17NO |
|---|---|
| Molecular Weight | 143.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 143.13101 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 22457-23-4 |
|---|---|
| SMILES | CCC(C)CC(=NO)CC |
| InChIKey | CBVWMGCJNPPAAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-5-heptanone oxime (CAS 22457-23-4), with molecular formula C8H17NO and molecular weight 143.13 g/mol. IUPAC: N-(5-methylheptan-3-ylidene)hydroxylamine.
Chemical Property Profile of 3-Methyl-5-heptanone oxime
Property Insights of 3-Methyl-5-heptanone oxime
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-heptanone oxime. With a topological polar surface area (TPSA) of 32.6 Ų, 3-Methyl-5-heptanone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-heptanone 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 3-Methyl-5-heptanone oxime?
The CAS number of 3-Methyl-5-heptanone oxime is 22457-23-4.
What is the molecular formula of 3-Methyl-5-heptanone oxime?
The molecular formula of 3-Methyl-5-heptanone oxime is C8H17NO.
What is the molecular weight of 3-Methyl-5-heptanone oxime?
The molecular weight of 3-Methyl-5-heptanone oxime is 143.13 g/mol.
Where can I buy 3-Methyl-5-heptanone oxime?
You can request a quote for 3-Methyl-5-heptanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-heptanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-heptanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.