![CAS 3621-38-3 2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/3621-38-3.gif)
CAS RN: 3621-38-3
2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260305 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260318 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250223 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251107 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260417 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260405 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250130 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20260325 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250708 | 5g | Out of stock | Inquiry | |
| Batchno.20250921 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS3621-38-3
- Purity/Analytical Methods: >99.0%
3621-38-3 / 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol iodide
Basic Information
CAS
3621-38-3
Multi CAS
Yes
Molecular Formula
C20H20InO4
Molecular Weight
465.300000
Exact Mass
465.043710
InChI
InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
InChIKey
MXTLAHSTUOXGQF-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
94.6
TPSA
51.8
LogP / Solubility
WLOGP
0.09
MLOGP
0.11
XLogP3
0.09
Consensus LogP
0.1
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
