4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate
TL;DR: 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate (CAS 312509-79-8) is a chemical compound with molecular formula C13H22N2O2 and molecular weight 238.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylpiperazin-1-yl)hex-4-yn-3-yl acetate
Also Known As: 6-(4-methylpiperazin-1-yl)hex-4-yn-3-yl acetate, 1-ethyl-4-(4-methylpiperazinyl)but-2-ynyl acetate, 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate, A1937/0081481, 1-ETHYL-4-(4-METHYLPIPERAZINO)-2-BUTYNYL ACETATE
| Molecular Formula | C13H22N2O2 |
|---|---|
| Molecular Weight | 238.17 g/mol |
| LogP | 0.5789 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.16812 |
| Heavy Atoms | 17 |
| Complexity | 298.27667 |
Chemical Identifiers
| CAS Number | 312509-79-8 |
|---|---|
| SMILES | CCC(C#CCN1CCN(CC1)C)OC(=O)C |
Product Overview
4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate (CAS 312509-79-8), with molecular formula C13H22N2O2 and molecular weight 238.17 g/mol. IUPAC: 6-(4-methylpiperazin-1-yl)hex-4-yn-3-yl acetate.
Chemical Property Profile of 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate
Property Insights of 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate
The XLogP value of 0.5789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate. With a topological polar surface area (TPSA) of 32.78 Ų, 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate 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 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate?
The CAS number of 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate is 312509-79-8.
What is the molecular formula of 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate?
The molecular formula of 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate is C13H22N2O2.
What is the molecular weight of 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate?
The molecular weight of 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate is 238.17 g/mol.
Where can I buy 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate?
You can request a quote for 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexyn-3-ol, 6-(4-methyl-1-piperazinyl)-, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.