Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride
TL;DR: Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride (CAS 72736-13-1) 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.
1-phenyl-3-piperazin-1-ylisoquinoline;hydrochloride
Also Known As: Perafensina, Perafensine hydrochloride, Perafensina [Spanish], Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride, 1-Phenyl-3-(1-piperazinyl)isoquinoline monohydrochloride
| Molecular Formula | C19H20ClN3 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 3.7332 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.13458 |
| Heavy Atoms | 23 |
| Complexity | 782.9815 |
Chemical Identifiers
| CAS Number | 72736-13-1 |
|---|---|
| SMILES | C1CN(CCN1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4.Cl |
Product Overview
Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride (CAS 72736-13-1), with molecular formula C19H20ClN3 and molecular weight 325.13 g/mol. IUPAC: 1-phenyl-3-piperazin-1-ylisoquinoline;hydrochloride.
Chemical Property Profile of Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride
Property Insights of Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride
The XLogP value of 3.7332 indicates that Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.16 Ų, Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride has 1 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 Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride?
The CAS number of Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride is 72736-13-1.
What is the molecular formula of Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride?
The molecular formula of Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride is C19H20ClN3.
What is the molecular weight of Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride?
The molecular weight of Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride is 325.13 g/mol.
Where can I buy Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride?
You can request a quote for Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1-phenyl-3-(1-piperazinyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.