1-(4-Allylpiperazin-1-yl)-2-aminoethanone
TL;DR: 1-(4-Allylpiperazin-1-yl)-2-aminoethanone (CAS 705944-29-2) is a chemical compound with molecular formula C9H17N3O and molecular weight 183.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone
Also Known As: 1-(4-allylpiperazin-1-yl)-2-aminoethanone, 1-(4-allylpiperazin-1-yl)-2-amino-ethanone, 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone, 2-Amino-1-[4-(prop-2-en-1-yl)piperazin-1-yl]ethan-1-one, 1-(4-ALLYL-PIPERAZIN-1-YL)-2-AMINO-ETHANONE2HCL
| Molecular Formula | C9H17N3O |
|---|---|
| Molecular Weight | 183.14 g/mol |
| LogP | -0.7247 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.13716 |
| Heavy Atoms | 13 |
| Complexity | 185.29883 |
Chemical Identifiers
| CAS Number | 705944-29-2 |
|---|---|
| SMILES | C=CCN1CCN(CC1)C(=O)CN |
Product Overview
1-(4-Allylpiperazin-1-yl)-2-aminoethanone (CAS 705944-29-2), with molecular formula C9H17N3O and molecular weight 183.14 g/mol. IUPAC: 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone.
Chemical Property Profile of 1-(4-Allylpiperazin-1-yl)-2-aminoethanone
Property Insights of 1-(4-Allylpiperazin-1-yl)-2-aminoethanone
The XLogP value of -0.7247 indicates that 1-(4-Allylpiperazin-1-yl)-2-aminoethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.57 Ų, 1-(4-Allylpiperazin-1-yl)-2-aminoethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Allylpiperazin-1-yl)-2-aminoethanone has 1 hydrogen bond donor(s) and 3 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-Allylpiperazin-1-yl)-2-aminoethanone?
The CAS number of 1-(4-Allylpiperazin-1-yl)-2-aminoethanone is 705944-29-2.
What is the molecular formula of 1-(4-Allylpiperazin-1-yl)-2-aminoethanone?
The molecular formula of 1-(4-Allylpiperazin-1-yl)-2-aminoethanone is C9H17N3O.
What is the molecular weight of 1-(4-Allylpiperazin-1-yl)-2-aminoethanone?
The molecular weight of 1-(4-Allylpiperazin-1-yl)-2-aminoethanone is 183.14 g/mol.
Where can I buy 1-(4-Allylpiperazin-1-yl)-2-aminoethanone?
You can request a quote for 1-(4-Allylpiperazin-1-yl)-2-aminoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Allylpiperazin-1-yl)-2-aminoethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Allylpiperazin-1-yl)-2-aminoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.