CAS RN: 6398-98-7
Amodiaquine Dihydrochloride Dihydrate
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260323 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250912 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250719 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20251213 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250129 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260113 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260124 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTA3133
- Purity/Analytical Methods: >98.0%(T)(HPLC)
6398-98-7 / 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;hydrate;hydrochloride
Basic Information
CAS
6398-98-7
Multi CAS
Yes
Molecular Formula
C20H25CL2N3O2
Molecular Weight
410.300000
Exact Mass
409.132382
InChI
InChI=1S/C20H22ClN3O.ClH.H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);1H;1H2
InChIKey
AOFIMJMWPZOPAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
115.63
TPSA
79.89
LogP / Solubility
WLOGP
4.78
MLOGP
4.23
XLogP3
4.78
Consensus LogP
4.6
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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