1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
TL;DR: 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine (CAS 525580-86-3) is a chemical compound with molecular formula C21H23ClN2O5 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
Also Known As: BAS 04057092, 1-(3-chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine, AT-057/43316440, (3-chlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone, [4-(3-Chloro-benzoyl)-piperazin-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone
| Molecular Formula | C21H23ClN2O5 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 2.964 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.12955 |
| Heavy Atoms | 29 |
| Complexity | 884.68964 |
Chemical Identifiers
| CAS Number | 525580-86-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl |
Product Overview
1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine (CAS 525580-86-3), with molecular formula C21H23ClN2O5 and molecular weight 418.13 g/mol. IUPAC: (3-chlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone.
Chemical Property Profile of 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
Property Insights of 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
The XLogP value of 2.964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine. The TPSA of 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine. Following Lipinski's Rule of Five, 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine 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 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine?
The CAS number of 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine is 525580-86-3.
What is the molecular formula of 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine?
The molecular formula of 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine is C21H23ClN2O5.
What is the molecular weight of 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine?
The molecular weight of 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine is 418.13 g/mol.
Where can I buy 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine?
You can request a quote for 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorobenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.