1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine
TL;DR: 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine (CAS 461402-34-6) is a chemical compound with molecular formula C18H22N2OS and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
Also Known As: BAS 01376114, 1-(4-ethylbenzyl)-4-(2-thienylcarbonyl)piperazine, AN-153/40720095, [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone, 4-[(4-ethylphenyl)methyl]piperazinyl 2-thienyl ketone
| Molecular Formula | C18H22N2OS |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1453 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 461402-34-6 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3 |
| InChIKey | ZFIXHOZTXTXOAJ-UHFFFAOYSA-N |
Product Overview
1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine (CAS 461402-34-6), with molecular formula C18H22N2OS and molecular weight 314.15 g/mol. IUPAC: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine
Property Insights of 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine
The XLogP value of 3.5 indicates that 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine has 0 hydrogen bond donor(s) and 3 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-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine?
The CAS number of 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine is 461402-34-6.
What is the molecular formula of 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine?
The molecular formula of 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine is C18H22N2OS.
What is the molecular weight of 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine?
The molecular weight of 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine is 314.15 g/mol.
Where can I buy 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine?
You can request a quote for 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethylbenzyl)-4-(2-thienylcarbonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.