CAS RN: 36556-02-2
5,6,7,8-tetrahydroisoquinoline-1,3-diol
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.20250924 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS36556-02-2
- Purity/Analytical Methods: >99.0%
36556-02-2 / 1-hydroxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
Basic Information
CAS
36556-02-2
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h5H,1-4H2,(H2,10,11,12)
InChIKey
KIBWBJZQFURZIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.37
TPSA
53.09
LogP / Solubility
WLOGP
0.96
MLOGP
0.84
XLogP3
0.5
Consensus LogP
0.77
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
