1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate
TL;DR: 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate (CAS 693224-41-8) is a chemical compound with molecular formula C15H21BrN2O2 and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate
Also Known As: 1-(4-methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate, AO-365/41690602, 1-methyl-2-(4-methyl-1-piperazinyl)ethyl 3-bromobenzoate
| Molecular Formula | C15H21BrN2O2 |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 2.2418 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.07864 |
| Heavy Atoms | 20 |
| Complexity | 458.94165 |
Chemical Identifiers
| CAS Number | 693224-41-8 |
|---|---|
| SMILES | CC(CN1CCN(CC1)C)OC(=O)C2=CC(=CC=C2)Br |
Product Overview
1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate (CAS 693224-41-8), with molecular formula C15H21BrN2O2 and molecular weight 340.08 g/mol. IUPAC: 1-(4-methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate.
Chemical Property Profile of 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate
Property Insights of 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate
The XLogP value of 2.2418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate. With a topological polar surface area (TPSA) of 32.78 Ų, 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate 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 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate?
The CAS number of 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate is 693224-41-8.
What is the molecular formula of 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate?
The molecular formula of 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate is C15H21BrN2O2.
What is the molecular weight of 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate?
The molecular weight of 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate is 340.08 g/mol.
Where can I buy 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate?
You can request a quote for 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylpiperazin-1-yl)propan-2-yl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.