![N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine structure](/static/products/851/851271-52-8.png)
N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine
TL;DR: N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine (CAS 851271-52-8) is a chemical compound with molecular formula C16H12ClN3O2 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine
Also Known As: N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine, (4-chlorobenzyl)-(8-nitro-5-isoquinolyl)amine, N-[(4-chlorophenyl)methyl]-8-nitro-5-isoquinolinamine, N-[(4-chlorophenyl)methyl]-8-nitro-isoquinolin-5-amine
| Molecular Formula | C16H12ClN3O2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 4.4085 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0618 |
| Heavy Atoms | 22 |
| Complexity | 834.4186 |
Chemical Identifiers
| CAS Number | 851271-52-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine (CAS 851271-52-8), with molecular formula C16H12ClN3O2 and molecular weight 313.06 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine.
Chemical Property Profile of N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine
Property Insights of N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine
The XLogP value of 4.4085 indicates that N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-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 N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine?
The CAS number of N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine is 851271-52-8.
What is the molecular formula of N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine?
The molecular formula of N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine is C16H12ClN3O2.
What is the molecular weight of N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine?
The molecular weight of N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine is 313.06 g/mol.
Where can I buy N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine?
You can request a quote for N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.