1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine
TL;DR: 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine (CAS 425396-99-2) is a chemical compound with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propan-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: BAS 03050378, 1-isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine, AT-057/43313740, [4-(1-Methylethyl)-1-piperazinyl](3,4,5-trimethoxyphenyl)methanone, (4-propan-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
| Molecular Formula | C17H26N2O4 |
|---|---|
| Molecular Weight | 322.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.18927 |
| Heavy Atoms | 23 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 425396-99-2 |
|---|---|
| SMILES | CC(C)N1CCN(CC1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | MDUBABXCRCSLBX-UHFFFAOYSA-N |
Product Overview
1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine (CAS 425396-99-2), with molecular formula C17H26N2O4 and molecular weight 322.19 g/mol. IUPAC: (4-propan-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine
Property Insights of 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine. With a topological polar surface area (TPSA) of 51.2 Ų, 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isopropyl-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-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine?
The CAS number of 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine is 425396-99-2.
What is the molecular formula of 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine?
The molecular formula of 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine is C17H26N2O4.
What is the molecular weight of 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine?
The molecular weight of 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine is 322.19 g/mol.
Where can I buy 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine?
You can request a quote for 1-Isopropyl-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-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropyl-4-(3,4,5-trimethoxybenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.