CAS RN: 83-89-6
QUINACRINE DIHYDROCHLORIDE DIHYDRATE
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: LINQ928115
83-89-6 / 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
Basic Information
CAS
83-89-6
Multi CAS
Yes
Molecular Formula
C23H30CLN3O
Molecular Weight
400.000000
Exact Mass
399.207740
InChI
InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
InChIKey
GPKJTRJOBQGKQK-UHFFFAOYSA-N
Physical Properties
Melting Point
248-250 °C
Decomposes at 248 °C
Melting point: ca 250 °C /Hydrochloride/
248 - 250 °C
Physical Description
Solid
Appearance
Bright yellow crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
14
Fraction Csp3
0.43
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
120.92
TPSA
37.39
LogP / Solubility
WLOGP
5.97
MLOGP
5.28
XLogP3
6
Consensus LogP
5.75
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
Decanedioic acid, mono(1,1-dimethylethyl) ester
- CAS RN: 234081-96-0
- Product Code: SSC-113148
-
-
-
-
-
