![4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine structure](/static/products/6415/64157-41-1.webp)
4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine
TL;DR: 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine (CAS 64157-41-1) is a chemical compound with molecular formula C19H20ClN3 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-chloroethylamino)phenyl]-N-ethylisoquinolin-3-amine
Also Known As: 4-[4-(2-chloroethylamino)phenyl]-N-ethylisoquinolin-3-amine, 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine
| Molecular Formula | C19H20ClN3 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 37.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.13458 |
| Heavy Atoms | 23 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 64157-41-1 |
|---|---|
| SMILES | CCNC1=C(C2=CC=CC=C2C=N1)C3=CC=C(C=C3)NCCCl |
| InChIKey | KIMPMFPOJKQFJJ-UHFFFAOYSA-N |
Product Overview
4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine (CAS 64157-41-1), with molecular formula C19H20ClN3 and molecular weight 325.13 g/mol. IUPAC: 4-[4-(2-chloroethylamino)phenyl]-N-ethylisoquinolin-3-amine.
Chemical Property Profile of 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine
Property Insights of 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine
The XLogP value of 5.0 indicates that 4-{4-[(2-Chloroethyl)amino]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 37.0 Ų, 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine has 2 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 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine?
The CAS number of 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine is 64157-41-1.
What is the molecular formula of 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine?
The molecular formula of 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine is C19H20ClN3.
What is the molecular weight of 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine?
The molecular weight of 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine is 325.13 g/mol.
Where can I buy 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine?
You can request a quote for 4-{4-[(2-Chloroethyl)amino]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-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[(2-Chloroethyl)amino]phenyl}-N-ethylisoquinolin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.