N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine
TL;DR: N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine (CAS 85982-75-8) is a chemical compound with molecular formula C16H22N2O and molecular weight 258.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-phenyl-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one
Also Known As: Nigerazine B, N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine, 6-Mesityl-3,3,6-trimethyl-1,2-dioxan, Piperazine, 4-(1-oxo-3-phenyl-2-propenyl)-1,2,5-trimethyl-, (2-alpha,4(E),5-beta)-, (E)-3-phenyl-1-((2S,5R)-2,4,5-trimethylpiperazin-1-yl)prop-2-en-1-one
| Molecular Formula | C16H22N2O |
|---|---|
| Molecular Weight | 258.17 g/mol |
| LogP | 2.2508 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.17322 |
| Heavy Atoms | 19 |
| Complexity | 455.07657 |
Chemical Identifiers
| CAS Number | 85982-75-8 |
|---|---|
| SMILES | C[C@H]1CN([C@@H](CN1C(=O)/C=C/C2=CC=CC=C2)C)C |
Product Overview
N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine (CAS 85982-75-8), with molecular formula C16H22N2O and molecular weight 258.17 g/mol. IUPAC: (E)-3-phenyl-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one.
Chemical Property Profile of N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine
Property Insights of N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine
The XLogP value of 2.2508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine. With a topological polar surface area (TPSA) of 23.55 Ų, N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine has 0 hydrogen bond donor(s) and 2 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 N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine?
The CAS number of N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine is 85982-75-8.
What is the molecular formula of N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine?
The molecular formula of N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine is C16H22N2O.
What is the molecular weight of N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine?
The molecular weight of N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine is 258.17 g/mol.
Where can I buy N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine?
You can request a quote for N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-trans-2,5-dimethyl-N'-cinnamoylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.