CAS RN: 936643-79-7
8-(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.20260523 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS936643-79-7
- Purity/Analytical Methods: >99.0%
936643-79-7 / 8-piperazin-1-ylisoquinoline;hydrochloride
Basic Information
CAS
936643-79-7
Multi CAS
No
Molecular Formula
C13H16CLN3
Molecular Weight
249.740000
Exact Mass
249.103275
InChI
InChI=1S/C13H15N3.ClH/c1-2-11-4-5-15-10-12(11)13(3-1)16-8-6-14-7-9-16;/h1-5,10,14H,6-9H2;1H
InChIKey
YVWCXIWRPWMSQE-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
Customers Also Viewed
-
-
-
TERT-BUTYL 6-METHOXY-4-OXOSPIRO[CHROMAN-2,4′-PIPERIDINE]-1′-CARBOXYLATE
- CAS RN: 936648-32-7
- Product Code: SSC-208020
-
tert-butyl 7-fluoro-4-oxo-3,4-dihydro-1’H-spiro[chromene-2,4′-piperidine]-1′-carboxylate
- CAS RN: 936648-33-8
- Product Code: SSC-208021
-
N-BOC-7-BROMO-4-OXO-3,4-DIHYDRO-1”H-SPIRO[CHROMENE-2,4”-PIPERIDINE]
- CAS RN: 936648-38-3
- Product Code: SSC-208023
-
Tubulysin M
- CAS RN: 936691-46-2
- Product Code: starshine_CAS936691-46-2
- Purity/Analytical method: >99.0%
![CAS 936648-32-7 TERT-BUTYL 6-METHOXY-4-OXOSPIRO[CHROMAN-2,4′-PIPERIDINE]-1′-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936648-32-7.gif)
![CAS 936648-33-8 tert-butyl 7-fluoro-4-oxo-3,4-dihydro-1’H-spiro[chromene-2,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936648-33-8.gif)
![CAS 936648-38-3 N-BOC-7-BROMO-4-OXO-3,4-DIHYDRO-1”H-SPIRO[CHROMENE-2,4”-PIPERIDINE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936648-38-3.gif)
