![N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide structure](/static/products/6415/64157-47-7.webp)
N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
TL;DR: N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide (CAS 64157-47-7) is a chemical compound with molecular formula C21H22Cl2N4O and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
Also Known As: N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide, N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)a, N-[4-(3-Aminoisoquinolin-4-yl)phenyl]-N~2~,N~2~-bis(2-chloroethyl)glycinamide
| Molecular Formula | C21H22Cl2N4O |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.11707 |
| Heavy Atoms | 28 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 64157-47-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC(=C2C3=CC=C(C=C3)NC(=O)CN(CCCl)CCCl)N |
| InChIKey | YSSFRXFMGRGXST-UHFFFAOYSA-N |
Product Overview
N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide (CAS 64157-47-7), with molecular formula C21H22Cl2N4O and molecular weight 416.12 g/mol. IUPAC: N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide.
Chemical Property Profile of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
Property Insights of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
The XLogP value of 3.8 indicates that N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide. Following Lipinski's Rule of Five, N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide has 2 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 N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide?
The CAS number of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide is 64157-47-7.
What is the molecular formula of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide?
The molecular formula of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide is C21H22Cl2N4O.
What is the molecular weight of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide?
The molecular weight of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide is 416.12 g/mol.
Where can I buy N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide?
You can request a quote for N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.