Butyl 4-piperazin-1-ylbenzoate
TL;DR: Butyl 4-piperazin-1-ylbenzoate (CAS 86620-18-0) is a chemical compound with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-piperazin-1-ylbenzoate
Also Known As: Butyl 4-piperazin-1-ylbenzoate, butyl 4-piperazinylbenzoate, BUTYL 4-(PIPERAZIN-1-YL)BENZOATE, butyl4-(piperazin-1-yl)benzoate, butyl 4-(1-piperazinyl)benzoate
| Molecular Formula | C15H22N2O2 |
|---|---|
| Molecular Weight | 262.17 g/mol |
| LogP | 2.0531 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.16812 |
| Heavy Atoms | 19 |
| Complexity | 397.11154 |
Chemical Identifiers
| CAS Number | 86620-18-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2CCNCC2 |
Product Overview
Butyl 4-piperazin-1-ylbenzoate (CAS 86620-18-0), with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol. IUPAC: butyl 4-piperazin-1-ylbenzoate.
Chemical Property Profile of Butyl 4-piperazin-1-ylbenzoate
Property Insights of Butyl 4-piperazin-1-ylbenzoate
The XLogP value of 2.0531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-piperazin-1-ylbenzoate. With a topological polar surface area (TPSA) of 41.57 Ų, Butyl 4-piperazin-1-ylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-piperazin-1-ylbenzoate has 1 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 Butyl 4-piperazin-1-ylbenzoate?
The CAS number of Butyl 4-piperazin-1-ylbenzoate is 86620-18-0.
What is the molecular formula of Butyl 4-piperazin-1-ylbenzoate?
The molecular formula of Butyl 4-piperazin-1-ylbenzoate is C15H22N2O2.
What is the molecular weight of Butyl 4-piperazin-1-ylbenzoate?
The molecular weight of Butyl 4-piperazin-1-ylbenzoate is 262.17 g/mol.
Where can I buy Butyl 4-piperazin-1-ylbenzoate?
You can request a quote for Butyl 4-piperazin-1-ylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-piperazin-1-ylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-piperazin-1-ylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.