3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone)
TL;DR: 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone) (CAS 300702-96-9) is a chemical compound with molecular formula C20H30N2O2 and molecular weight 330.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: BAS 00100162, 3,3'-(piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone), 3,3'-piperazine-1,4-diylbis(5,5-dimethylcyclohex-2-en-1-one), 3-[4-(5,5-dimethyl-3-oxocyclohex-1-enyl)piperazinyl]-5,5-dimethylcyclohex-2-en -1-one, 3-[4-(5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-one
| Molecular Formula | C20H30N2O2 |
|---|---|
| Molecular Weight | 330.23 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.23074 |
| Heavy Atoms | 24 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 300702-96-9 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)N2CCN(CC2)C3=CC(=O)CC(C3)(C)C)C |
| InChIKey | UBEOVSSSYNJKOA-UHFFFAOYSA-N |
Product Overview
3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone) (CAS 300702-96-9), with molecular formula C20H30N2O2 and molecular weight 330.23 g/mol. IUPAC: 3-[4-(5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone)
Property Insights of 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone). With a topological polar surface area (TPSA) of 40.6 Ų, 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone) 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 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone)?
The CAS number of 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone) is 300702-96-9.
What is the molecular formula of 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone)?
The molecular formula of 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone) is C20H30N2O2.
What is the molecular weight of 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone)?
The molecular weight of 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone) is 330.23 g/mol.
Where can I buy 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone)?
You can request a quote for 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.