Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride
TL;DR: Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride (CAS 17766-61-9) is a chemical compound with molecular formula C22H29ClN2O4 and molecular weight 420.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone chloride
Also Known As: 1-(m-Methylbenzyl)-4-(3,4,5-trimethoxybenzoyl)piperazine hydrochloride, 4-(m-Methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl ketone hydrochloride, Piperazine, 1-(m-methylbenzyl)-4-(3,4,5-trimethoxybenzoyl)-, hydrochloride, KETONE, 4-(m-METHYLBENZYL)PIPERAZINYL 3,4,5-TRIMETHOXYPHENYL, HYDROCHLORIDE, [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone chloride
| Molecular Formula | C22H29ClN2O4 |
|---|---|
| Molecular Weight | 420.18 g/mol |
| LogP | -1.43 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.18158 |
| Heavy Atoms | 29 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 17766-61-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-] |
| InChIKey | DGWSBEFWPNKDTJ-UHFFFAOYSA-N |
Product Overview
Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride (CAS 17766-61-9), with molecular formula C22H29ClN2O4 and molecular weight 420.18 g/mol. IUPAC: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone chloride.
Chemical Property Profile of Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride
Property Insights of Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride
The XLogP value of -1.43 indicates that Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.4 Ų, Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride has 1 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 Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride?
The CAS number of Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride is 17766-61-9.
What is the molecular formula of Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride?
The molecular formula of Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride is C22H29ClN2O4.
What is the molecular weight of Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride?
The molecular weight of Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride is 420.18 g/mol.
Where can I buy Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride?
You can request a quote for Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 4-(m-methylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.