Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate
TL;DR: Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate (CAS 135127-54-7) is a chemical compound with molecular formula C18H18ClNO4 and molecular weight 347.09244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(3-chloro-1,4-dioxonaphthalen-2-yl)piperidine-4-carboxylate
Also Known As: ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate, ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-piperidinecarboxylate, ethyl 1-(3-chloro-1,4-dioxonaphthalen-2-yl)piperidine-4-carboxylate, 11T-0667, 2-Chloro-3-[4-(ethoxycarbonyl)-1-piperidyl]-1,4-naphthoquinone
Technical Specifications
| Molecular Formula | C18H18ClNO4 |
| Molecular Weight | 347.09244 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.09244 Da |
| Heavy Atoms | 24 |
| Complexity | 578.0 |
| SMILES | CCOC(=O)C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | ZCMSHFUPDHQEHF-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate
Property Insights of Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate
The XLogP value of 3.3 indicates that Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate is 135127-54-7.
What is the molecular formula of Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate is C18H18ClNO4.
What is the molecular weight of Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate is 347.09244 g/mol.
Where can I buy Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.