4-Hexen-2-one O-methyl oxime
TL;DR: 4-Hexen-2-one O-methyl oxime (CAS 56335-99-0) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methoxyhex-4-en-2-imine
Also Known As: 4-Hexen-2-oneO-methyloxime, 4-Hexen-2-one O-methyl oxime
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 56335-99-0 |
|---|---|
| SMILES | CC=CCC(=NOC)C |
| InChIKey | UVAJWQIAXCBSLQ-UHFFFAOYSA-N |
Product Overview
4-Hexen-2-one O-methyl oxime (CAS 56335-99-0), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: N-methoxyhex-4-en-2-imine.
Chemical Property Profile of 4-Hexen-2-one O-methyl oxime
Property Insights of 4-Hexen-2-one O-methyl oxime
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexen-2-one O-methyl oxime. With a topological polar surface area (TPSA) of 21.6 Ų, 4-Hexen-2-one O-methyl oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexen-2-one O-methyl oxime has 0 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-Hexen-2-one O-methyl oxime?
The CAS number of 4-Hexen-2-one O-methyl oxime is 56335-99-0.
What is the molecular formula of 4-Hexen-2-one O-methyl oxime?
The molecular formula of 4-Hexen-2-one O-methyl oxime is C7H13NO.
What is the molecular weight of 4-Hexen-2-one O-methyl oxime?
The molecular weight of 4-Hexen-2-one O-methyl oxime is 127.10 g/mol.
Where can I buy 4-Hexen-2-one O-methyl oxime?
You can request a quote for 4-Hexen-2-one O-methyl oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexen-2-one O-methyl oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexen-2-one O-methyl oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.