1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine
TL;DR: 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine (CAS 461413-75-2) is a chemical compound with molecular formula C19H23N3O and molecular weight 309.18 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]-pyridin-4-ylmethanone
Also Known As: 1-(4-ethylbenzyl)-4-isonicotinoylpiperazine, AT-057/43316714, [4-(4-ethylbenzyl)piperazin-1-yl](pyridin-4-yl)methanone, [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone, 4-[(4-ethylphenyl)methyl]piperazinyl 4-pyridyl ketone
| Molecular Formula | C19H23N3O |
|---|---|
| Molecular Weight | 309.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1841 |
| Heavy Atoms | 23 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 461413-75-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=NC=C3 |
| InChIKey | IGNZTARSHJOOOW-UHFFFAOYSA-N |
Product Overview
1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine (CAS 461413-75-2), with molecular formula C19H23N3O and molecular weight 309.18 g/mol. IUPAC: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine
Property Insights of 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine. With a topological polar surface area (TPSA) of 36.4 Ų, 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine 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-isonicotinoylpiperazine?
The CAS number of 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine is 461413-75-2.
What is the molecular formula of 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine?
The molecular formula of 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine is C19H23N3O.
What is the molecular weight of 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine?
The molecular weight of 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine is 309.18 g/mol.
Where can I buy 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine?
You can request a quote for 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine 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-isonicotinoylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethylbenzyl)-4-isonicotinoylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.