CAS RN: 3621-36-1
columbamine
Product Availability
Choose a grade to view its available package options.
10 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260605 | 100mg | Out of stock | Inquiry | |
| Batchno.20250605 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260415 | 250mg | Out of stock | Inquiry | |
| Batchno.20260610 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250730 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250717 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250505 | 5mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS3621-36-1
- Purity/Analytical Methods: >99.0%
3621-36-1 / 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Basic Information
CAS
3621-36-1
Multi CAS
Yes
Molecular Formula
C20H20NO4
Molecular Weight
338.400000
Exact Mass
338.139233
InChI
InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)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
YYFOFDHQVIODOQ-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
25
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
3.08
MLOGP
2.73
XLogP3
3.4
Consensus LogP
3.07
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
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![CAS 3621-38-3 2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
- CAS RN: 3621-38-3
- Product Code: starshine_CAS3621-38-3
- Purity/Analytical method: >99.0%
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![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)
