CAS RN: 1189449-70-4
Amodiaquine-d10
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.20260321 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1189449-70-4
- Purity/Analytical Methods: >99.0%
1189449-70-4 / 2-[[bis(1,1,2,2,2-pentadeuterioethyl)amino]methyl]-4-[(7-chloroquinolin-4-yl)amino]phenol
amodiaquine | Amodiaquin | Flavoquine
Basic Information
CAS
1189449-70-4
Multi CAS
Yes
Molecular Formula
C20H22ClN3O
Molecular Weight
365.900000
Exact Mass
365.207908
SMILES
[2H]C([2H])([2H])C([2H])([2H])N(CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O)C([2H])([2H])C([2H])([2H])[2H]
InChI
InChI=1S/C20H22ClN3O/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)/i1D3,2D3,3D2,4D2
InChIKey
OVCDSSHSILBFBN-MWUKXHIBSA-N
Synonyms
amodiaquine
Amodiaquin
Flavoquine
Camoquin
Camochin
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
104.77
TPSA
48.39
LogP / Solubility
WLOGP
5.18
MLOGP
4.58
XLogP3
2.6
Consensus LogP
4.12
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
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)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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