5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione
TL;DR: 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione (CAS 371940-57-7) is a chemical compound with molecular formula C16H27N3O2 and molecular weight 293.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methylidene]cyclohexane-1,3-dione
Also Known As: 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione, 5,5-dimethyl-2-({methyl[2-(piperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione, 5,5-dimethyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methylidene]cyclohexane-1,3-dione
| Molecular Formula | C16H27N3O2 |
|---|---|
| Molecular Weight | 293.21 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.21033 |
| Heavy Atoms | 21 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 371940-57-7 |
|---|---|
| SMILES | CC1(CC(=O)C(=CN(C)CCN2CCNCC2)C(=O)C1)C |
| InChIKey | SGWDOJRSKGRJHK-UHFFFAOYSA-N |
Product Overview
5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione (CAS 371940-57-7), with molecular formula C16H27N3O2 and molecular weight 293.21 g/mol. IUPAC: 5,5-dimethyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methylidene]cyclohexane-1,3-dione.
Chemical Property Profile of 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione
Property Insights of 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 52.7 Ų, 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione has 1 hydrogen bond donor(s) and 5 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 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione?
The CAS number of 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione is 371940-57-7.
What is the molecular formula of 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione?
The molecular formula of 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione is C16H27N3O2.
What is the molecular weight of 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione?
The molecular weight of 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione is 293.21 g/mol.
Where can I buy 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione?
You can request a quote for 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-dimethyl-2-((methyl(2-(piperazin-1-yl)ethyl)amino)methylene)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.