2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride
TL;DR: 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride (CAS 4415-53-6) is a chemical compound with molecular formula C14H22Cl3N3O2 and molecular weight 369.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride
Also Known As: 2-piperazin-1-ylethyl (E)-3-pyridin-3-ylprop-2-enoate,trihyd
| Molecular Formula | C14H22Cl3N3O2 |
|---|---|
| Molecular Weight | 369.08 g/mol |
| LogP | 1.8086 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.07776 |
| Heavy Atoms | 22 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 4415-53-6 |
|---|---|
| SMILES | C1CN(CCN1)CCOC(=O)C=CC2=CN=CC=C2.Cl.Cl.Cl |
| InChIKey | IHGXXUGKLDZJOZ-UHFFFAOYSA-N |
Product Overview
2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride (CAS 4415-53-6), with molecular formula C14H22Cl3N3O2 and molecular weight 369.08 g/mol. IUPAC: 2-piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride.
Chemical Property Profile of 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride
Property Insights of 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride
The XLogP value of 1.8086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride. With a topological polar surface area (TPSA) of 54.5 Ų, 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride has 4 hydrogen bond donor(s) and 5 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 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride?
The CAS number of 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride is 4415-53-6.
What is the molecular formula of 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride?
The molecular formula of 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride is C14H22Cl3N3O2.
What is the molecular weight of 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride?
The molecular weight of 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride is 369.08 g/mol.
Where can I buy 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride?
You can request a quote for 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Piperazin-1-ylethyl 3-pyridin-3-ylprop-2-enoate;trihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.