5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione
TL;DR: 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione (CAS 144128-70-1) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[4-(dimethylamino)phenyl]cyclohexane-1,3-dione
Also Known As: 5-[4-(Dimethylamino)Phenyl]Cyclohexane-1,3-Dione, Maybridge1_003234, 5-(4-(Dimethylamino)phenyl)cyclohexane-1,3-dione, 5-[4-(Dimethylamino)phenyl]-1,3-cyclohexanedione, 4354AD
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H17NO2 |
| Molecular Weight | 231.12593 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.12593 Da |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C2CC(=O)CC(=O)C2 |
| InChIKey | WANNTJAQMZXABU-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione
Property Insights of 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione. With a topological polar surface area (TPSA) of 37.4 Ų, 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione?
The CAS number of 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione is 144128-70-1.
What is the molecular formula of 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione?
The molecular formula of 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione is C14H17NO2.
What is the molecular weight of 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione?
The molecular weight of 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione is 231.12593 g/mol.
Where can I buy 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione?
You can request a quote for 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione?
Yes, CoreyChem provides custom synthesis services for 5-(4-(Dimethylamino)phenyl)-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.