5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone
TL;DR: 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone (CAS 56542-67-7) is a chemical compound with molecular formula C14H25N3O and molecular weight 251.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one
Also Known As: 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone, 3-Cyanobenzenesulfonyl chloride, 4-Chlor-2-methyl-N-tert.-butylanilin, BAS 01095400, 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one
| Molecular Formula | C14H25N3O |
|---|---|
| Molecular Weight | 251.20 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.19977 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 56542-67-7 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCCN2CCNCC2)C |
| InChIKey | KUNVLFRFOSOFDZ-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone (CAS 56542-67-7), with molecular formula C14H25N3O and molecular weight 251.20 g/mol. IUPAC: 5,5-dimethyl-3-(2-piperazin-1-ylethylamino)cyclohex-2-en-1-one.
Chemical Property Profile of 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone
Property Insights of 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone. With a topological polar surface area (TPSA) of 44.4 Ų, 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone has 2 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 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone?
The CAS number of 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone is 56542-67-7.
What is the molecular formula of 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone?
The molecular formula of 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone is C14H25N3O.
What is the molecular weight of 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone?
The molecular weight of 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone is 251.20 g/mol.
Where can I buy 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone?
You can request a quote for 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.