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CAS 896106-16-4 IMiquiMod (Maleate) molecular structure lightbox
CAS RN: 896106-16-4

IMiquiMod (Maleate)

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251108 100mg / 200mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS896106-16-4
  • Purity/Analytical Methods: >99.0%
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896106-16-4 / (Z)-but-2-enedioic acid;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine

Standard CAS: 896106-16-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
896106-16-4
Multi CAS
Yes
Molecular Formula
C18H20N4O4
Molecular Weight
356.400000
Exact Mass
356.148455
InChI
InChI=1S/C14H16N4.C4H4O4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15;5-3(6)1-2-4(7)8/h3-6,8-9H,7H2,1-2H3,(H2,15,17);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
KYQFLNAOJRNEDV-BTJKTKAUSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
13
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
98.7
TPSA
131.33

LogP / Solubility

WLOGP
2.53
MLOGP
2.25
XLogP3
2.53
Consensus LogP
2.44
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09

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
2.5

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