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N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide
TL;DR: N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide (CAS 64157-39-7) is a chemical compound with molecular formula C18H16ClN3O and molecular weight 325.10 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]-3-chloropropanamide
Also Known As: N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide
| Molecular Formula | C18H16ClN3O |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.09818 |
| Heavy Atoms | 23 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 64157-39-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC(=C2C3=CC=C(C=C3)NC(=O)CCCl)N |
| InChIKey | YFPSWDVFUZAZRD-UHFFFAOYSA-N |
Product Overview
N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide (CAS 64157-39-7), with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol. IUPAC: N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide.
Chemical Property Profile of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide
Property Insights of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide
The XLogP value of 3.1 indicates that N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide. Following Lipinski's Rule of Five, N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide 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 N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide?
The CAS number of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide is 64157-39-7.
What is the molecular formula of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide?
The molecular formula of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide is C18H16ClN3O.
What is the molecular weight of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide?
The molecular weight of N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide is 325.10 g/mol.
Where can I buy N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide?
You can request a quote for N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide 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]-3-chloropropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.