Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride
TL;DR: Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride (CAS 3398-27-4) is a chemical compound with molecular formula C22H27ClN2O6 and molecular weight 450.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
Also Known As: 1-(3,4,5-Trimethoxybenzoyl)-4-piperonylpiperazine hydrochloride, Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride, Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4,5-trimethoxybenzoyl)-, monohydrochloride, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone hydrochloride, {4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--hydrogen chloride (1/1)
| Molecular Formula | C22H27ClN2O6 |
|---|---|
| Molecular Weight | 450.16 g/mol |
| LogP | 2.8209 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.15576 |
| Heavy Atoms | 31 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 3398-27-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.Cl |
| InChIKey | OPHMEJUHZOOMDZ-UHFFFAOYSA-N |
Product Overview
Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride (CAS 3398-27-4), with molecular formula C22H27ClN2O6 and molecular weight 450.16 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride.
Chemical Property Profile of Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride
Property Insights of Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride
The XLogP value of 2.8209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride. Following Lipinski's Rule of Five, Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride has 1 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 Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride?
The CAS number of Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride is 3398-27-4.
What is the molecular formula of Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride?
The molecular formula of Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride is C22H27ClN2O6.
What is the molecular weight of Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride?
The molecular weight of Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride is 450.16 g/mol.
Where can I buy Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride?
You can request a quote for Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.