![4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one structure](/static/products/6136/613658-53-0.webp)
4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one
TL;DR: 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one (CAS 613658-53-0) is a chemical compound with molecular formula C16H26N2O3 and molecular weight 294.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethylpiperazine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Also Known As: IFLab1_005537, IDI1_010940, AF-399/41585677, 1-[(4-ethyl-1-piperazinyl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one, 4-(4-ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one
| Molecular Formula | C16H26N2O3 |
|---|---|
| Molecular Weight | 294.19 g/mol |
| LogP | 1.2724 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.19434 |
| Heavy Atoms | 21 |
| Complexity | 481.91376 |
Chemical Identifiers
| CAS Number | 613658-53-0 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=O)C23CCC(C2(C)C)(C(=O)O3)C |
Product Overview
4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one (CAS 613658-53-0), with molecular formula C16H26N2O3 and molecular weight 294.19 g/mol. IUPAC: 1-(4-ethylpiperazine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one.
Chemical Property Profile of 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one
Property Insights of 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one
The XLogP value of 1.2724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one. With a topological polar surface area (TPSA) of 49.85 Ų, 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one has 0 hydrogen bond donor(s) and 4 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-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one?
The CAS number of 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one is 613658-53-0.
What is the molecular formula of 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one?
The molecular formula of 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one is C16H26N2O3.
What is the molecular weight of 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one?
The molecular weight of 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one is 294.19 g/mol.
Where can I buy 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one?
You can request a quote for 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Ethylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.