![4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one structure](/static/products/6136/613658-52-9.webp)
4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one
TL;DR: 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one (CAS 613658-52-9) is a chemical compound with molecular formula C15H24N2O3 and molecular weight 280.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-1-(4-methylpiperazine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
Also Known As: 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one, 1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)-3-oxabicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-4-[(4-methylpiperazinyl)carbonyl]-3-oxabicyclo[2.2.1]heptan-2- one, (1S,4S)-4,7,7-TRIMETHYL-1-(4-METHYLPIPERAZINE-1-CARBONYL)-2-OXABICYCLO[2.2.1]HEPTAN-3-ONE
| Molecular Formula | C15H24N2O3 |
|---|---|
| Molecular Weight | 280.18 g/mol |
| LogP | 0.8823 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.17868 |
| Heavy Atoms | 20 |
| Complexity | 467.73907 |
Chemical Identifiers
| CAS Number | 613658-52-9 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)N3CCN(CC3)C)C)C |
Product Overview
4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one (CAS 613658-52-9), with molecular formula C15H24N2O3 and molecular weight 280.18 g/mol. IUPAC: 4,7,7-trimethyl-1-(4-methylpiperazine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one.
Chemical Property Profile of 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one
Property Insights of 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one
The XLogP value of 0.8823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one. With a topological polar surface area (TPSA) of 49.85 Ų, 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-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 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one?
The CAS number of 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one is 613658-52-9.
What is the molecular formula of 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one?
The molecular formula of 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one is C15H24N2O3.
What is the molecular weight of 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one?
The molecular weight of 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one is 280.18 g/mol.
Where can I buy 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one?
You can request a quote for 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4,7,7-trimethyl-1-[(4-methylpiperazin-1-yl)carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.