CAS RN: 85798-08-9
(-)-QUINPIROLE HYDROCHLORIDE
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.20250425 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS85798-08-9
- Purity/Analytical Methods: >99.0%
85798-08-9 / (4aR,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride
Basic Information
CAS
85798-08-9
Multi CAS
Yes
Molecular Formula
C13H22CLN3
Molecular Weight
255.790000
Exact Mass
255.150225
InChI
InChI=1S/C13H21N3.ClH/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12;/h9-10,13H,2-8H2,1H3,(H,14,15);1H/t10-,13-;/m1./s1
InChIKey
HJHVRVJTYPKTHX-HTMVYDOJSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.62
TPSA
31.92
LogP / Solubility
WLOGP
2.42
MLOGP
2.14
XLogP3
2.42
Consensus LogP
2.33
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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