RefChem:331452
TL;DR: RefChem:331452 (CAS 16785-30-1) is a chemical compound with molecular formula C22H31Cl2N3O4 and molecular weight 471.16916 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dichloride
Also Known As: Butyrophenone, 4-(4-(2-pyridyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride, 1-(2-Pyridyl)-4-(3-(3,4,5-trimethoxybenzoyl)propyl)piperazine dihydrochloirde, 4-(4-(2-Pyridyl)piperazinyl)-3',4',5'-trimethoxybutyrophenone dihydrochloride, Piperazine, 1-(2-pyridyl)-4-(3-(3,4,5-trimethoxybenzoyl)propyl)-, dihydrochloride, 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dichloride
Technical Specifications
| Molecular Formula | C22H31Cl2N3O4 |
| Molecular Weight | 471.16916 g/mol |
| XLogP | -5.1 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.16916 Da |
| Heavy Atoms | 31 |
| Complexity | 484.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CCC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3.[Cl-].[Cl-] |
| InChIKey | CIWJKMWPLBHARK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331452
Property Insights of RefChem:331452
The XLogP value of -5.1 indicates that RefChem:331452 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331452. Following Lipinski's Rule of Five, RefChem:331452 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:331452?
The CAS number of RefChem:331452 is 16785-30-1.
What is the molecular formula of RefChem:331452?
The molecular formula of RefChem:331452 is C22H31Cl2N3O4.
What is the molecular weight of RefChem:331452?
The molecular weight of RefChem:331452 is 471.16916 g/mol.
Where can I buy RefChem:331452?
You can request a quote for RefChem:331452 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331452?
Yes, CoreyChem provides custom synthesis services for RefChem:331452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.