Butyl 4-(4-methylpiperazin-1-yl)benzoate
TL;DR: Butyl 4-(4-methylpiperazin-1-yl)benzoate (CAS 86620-49-7) is a chemical compound with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(4-methylpiperazin-1-yl)benzoate
Also Known As: Butyl 4-(4-methylpiperazin-1-yl)benzoate, butyl 4-(4-methyl-1-piperazinyl)benzoate, butyl 4-(4-methylpiperazinyl)benzoate, n-Butyl 4-(1-Methylpiperazin-4-yl)-benzoate, AS-871/43387395
| Molecular Formula | C16H24N2O2 |
|---|---|
| Molecular Weight | 276.18 g/mol |
| LogP | 2.3953 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.18378 |
| Heavy Atoms | 20 |
| Complexity | 422.60794 |
Chemical Identifiers
| CAS Number | 86620-49-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C |
Product Overview
Butyl 4-(4-methylpiperazin-1-yl)benzoate (CAS 86620-49-7), with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol. IUPAC: butyl 4-(4-methylpiperazin-1-yl)benzoate.
Chemical Property Profile of Butyl 4-(4-methylpiperazin-1-yl)benzoate
Property Insights of Butyl 4-(4-methylpiperazin-1-yl)benzoate
The XLogP value of 2.3953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-(4-methylpiperazin-1-yl)benzoate. With a topological polar surface area (TPSA) of 32.78 Ų, Butyl 4-(4-methylpiperazin-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-(4-methylpiperazin-1-yl)benzoate 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 Butyl 4-(4-methylpiperazin-1-yl)benzoate?
The CAS number of Butyl 4-(4-methylpiperazin-1-yl)benzoate is 86620-49-7.
What is the molecular formula of Butyl 4-(4-methylpiperazin-1-yl)benzoate?
The molecular formula of Butyl 4-(4-methylpiperazin-1-yl)benzoate is C16H24N2O2.
What is the molecular weight of Butyl 4-(4-methylpiperazin-1-yl)benzoate?
The molecular weight of Butyl 4-(4-methylpiperazin-1-yl)benzoate is 276.18 g/mol.
Where can I buy Butyl 4-(4-methylpiperazin-1-yl)benzoate?
You can request a quote for Butyl 4-(4-methylpiperazin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-(4-methylpiperazin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-(4-methylpiperazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.