![1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one structure](/static/products/5706/57061-77-5.webp)
1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one
TL;DR: 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one (CAS 57061-77-5) is a chemical compound with molecular formula C23H33N3O5 and molecular weight 431.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
Also Known As: 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one, 1-[4-[2-(HEXAHYDRO-1H-AZEPIN-1-YL)-2-OXOETHYL ]PIPERAZIN-1-YL ]-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-2-PROPEN-1-ONE
| Molecular Formula | C23H33N3O5 |
|---|---|
| Molecular Weight | 431.24 g/mol |
| LogP | 1.9694 |
| Topological Polar Surface Area | 82.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.24203 |
| Heavy Atoms | 31 |
| Complexity | 769.39685 |
Chemical Identifiers
| CAS Number | 57061-77-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3 |
Product Overview
1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one (CAS 57061-77-5), with molecular formula C23H33N3O5 and molecular weight 431.24 g/mol. IUPAC: 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one
Property Insights of 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one
The XLogP value of 1.9694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one. The TPSA of 82.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one. Following Lipinski's Rule of Five, 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one has 1 hydrogen bond donor(s) and 6 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 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one?
The CAS number of 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one is 57061-77-5.
What is the molecular formula of 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one?
The molecular formula of 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one is C23H33N3O5.
What is the molecular weight of 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one?
The molecular weight of 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one is 431.24 g/mol.
Where can I buy 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one?
You can request a quote for 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[2-2-oxoethyl]piperazin-1-yl]-3-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.