(4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
TL;DR: (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone (CAS 48216-63-3) is a chemical compound with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: BAS 01153083, F1142-0840, (4-benzylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone, (4-benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone, (4-Benzylpiperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone
| Molecular Formula | C21H26N2O4 |
|---|---|
| Molecular Weight | 370.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.18927 |
| Heavy Atoms | 27 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 48216-63-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC=CC=C3 |
| InChIKey | DJHXDXAGQROJGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone (CAS 48216-63-3), with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
Property Insights of (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone. With a topological polar surface area (TPSA) of 51.2 Ų, (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone has 0 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 (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone?
The CAS number of (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone is 48216-63-3.
What is the molecular formula of (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone?
The molecular formula of (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone is C21H26N2O4.
What is the molecular weight of (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone?
The molecular weight of (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone is 370.19 g/mol.
Where can I buy (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone?
You can request a quote for (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.