CAS RN: 936643-77-5
6-(1-piperazinyl)-isoquinoline HCl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS936643-77-5
- Purity/Analytical Methods: >99.0%
936643-77-5 / 7-piperazin-1-ylisoquinoline;hydrochloride
Basic Information
CAS
936643-77-5
Multi CAS
Yes
Molecular Formula
C13H16CLN3
Molecular Weight
249.740000
Exact Mass
249.103275
InChI
InChI=1S/C13H15N3.ClH/c1-2-13(16-7-5-14-6-8-16)9-11-3-4-15-10-12(1)11;/h1-4,9-10,14H,5-8H2;1H
InChIKey
OUVGBAINNXZQCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.07
TPSA
28.16
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
2.07
Consensus LogP
1.99
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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