4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate
TL;DR: 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate (CAS 4630-48-2) is a chemical compound with molecular formula C24H32N2O5 and molecular weight 428.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate
Also Known As: 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate, 4-(1-Phenyl-4-piperazinyl)butyl 3,4,5-trimethoxybenzoate, 4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate, 4-(1-PHENYL-4-PIPERAZINYL)BUTYL-3,4,5-TRIMETHOXYBENZOATE, Benzoic acid, 3,4,5-trimethoxy-, 4-(4-phenyl-1-piperazinyl)butyl ester
| Molecular Formula | C24H32N2O5 |
|---|---|
| Molecular Weight | 428.23 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 428.2311 |
| Heavy Atoms | 31 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 4630-48-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCN2CCN(CC2)C3=CC=CC=C3 |
| InChIKey | RJRFVKJEQCCOTJ-UHFFFAOYSA-N |
Product Overview
4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate (CAS 4630-48-2), with molecular formula C24H32N2O5 and molecular weight 428.23 g/mol. IUPAC: 4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate
Property Insights of 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate
The XLogP value of 4.0 indicates that 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 7 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-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate?
The CAS number of 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate is 4630-48-2.
What is the molecular formula of 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate?
The molecular formula of 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate is C24H32N2O5.
What is the molecular weight of 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate?
The molecular weight of 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate is 428.23 g/mol.
Where can I buy 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate?
You can request a quote for 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.