5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide
TL;DR: 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide (CAS 339096-79-6) is a chemical compound with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide
Also Known As: 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide, [5-(4-chlorophenyl)-3-oxo-4-pentenylidene](methyl)ammoniumolate
| Molecular Formula | C12H12ClNO2 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 2.5233 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.05565 |
| Heavy Atoms | 16 |
| Complexity | 417.14984 |
Chemical Identifiers
| CAS Number | 339096-79-6 |
|---|---|
| SMILES | C[N+](=CCC(=O)C=CC1=CC=C(C=C1)Cl)[O-] |
Product Overview
5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide (CAS 339096-79-6), with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol. IUPAC: 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide.
Chemical Property Profile of 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide
Property Insights of 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide
The XLogP value of 2.5233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide. With a topological polar surface area (TPSA) of 43.14 Ų, 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide 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 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide?
The CAS number of 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide is 339096-79-6.
What is the molecular formula of 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide?
The molecular formula of 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide is C12H12ClNO2.
What is the molecular weight of 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide?
The molecular weight of 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide is 237.06 g/mol.
Where can I buy 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide?
You can request a quote for 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenyl)-N-methyl-3-oxopent-4-en-1-imine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.