![4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine structure](/static/products/6415/64157-49-9.webp)
4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine
TL;DR: 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine (CAS 64157-49-9) is a chemical compound with molecular formula C23H27ClN4 and molecular weight 394.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-(2-chloroethyl)piperazin-1-yl]phenyl]-N-ethylisoquinolin-3-amine
Also Known As: 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine, 4-[4-[4-(2-chloroethyl)piperazin-1-yl]phenyl]-N-ethylisoquinolin-3-amine, 3-ISOQUINOLINAMINE,4-[4-[4-(2-CHLOROETHYL)-1-PIPERAZINYL]PHENYL]-N-ETHYL-
| Molecular Formula | C23H27ClN4 |
|---|---|
| Molecular Weight | 394.19 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.1924 |
| Heavy Atoms | 28 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 64157-49-9 |
|---|---|
| SMILES | CCNC1=C(C2=CC=CC=C2C=N1)C3=CC=C(C=C3)N4CCN(CC4)CCCl |
| InChIKey | GCCAIXWIAOJDFZ-UHFFFAOYSA-N |
Product Overview
4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine (CAS 64157-49-9), with molecular formula C23H27ClN4 and molecular weight 394.19 g/mol. IUPAC: 4-[4-[4-(2-chloroethyl)piperazin-1-yl]phenyl]-N-ethylisoquinolin-3-amine.
Chemical Property Profile of 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine
Property Insights of 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine
The XLogP value of 4.9 indicates that 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine has 1 hydrogen bond donor(s) and 4 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 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine?
The CAS number of 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine is 64157-49-9.
What is the molecular formula of 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine?
The molecular formula of 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine is C23H27ClN4.
What is the molecular weight of 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine?
The molecular weight of 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine is 394.19 g/mol.
Where can I buy 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine?
You can request a quote for 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[4-(2-Chloroethyl)piperazin-1-yl]phenyl}-N-ethylisoquinolin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.