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CAS 99010-63-6 Imiquimod Related Compound B (25 mg) (1-Isobutyl-1H-imidazo[4,5-c]quinoline 5-oxide) molecular structure lightbox
CAS RN: 99010-63-6

Imiquimod Related Compound B (25 mg) (1-Isobutyl-1H-imidazo[4,5-c]quinoline 5-oxide)

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260420 100mg In stock Shanghai Inquiry
Batchno.20260126 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250330 1g In stock Shanghai Inquiry
Batchno.20260420 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS99010-63-6
  • Purity/Analytical Methods: >99.0%
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99010-63-6 / 1-(2-methylpropyl)-5-oxidoimidazo[4,5-c]quinolin-5-ium

Standard CAS: 99010-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99010-63-6
Multi CAS
No
Molecular Formula
C14H15N3O
Molecular Weight
241.290000
Exact Mass
241.121512
InChI
InChI=1S/C14H15N3O/c1-10(2)7-16-9-15-12-8-17(18)13-6-4-3-5-11(13)14(12)16/h3-6,8-10H,7H2,1-2H3
InChIKey
RBKTVDLDAPUNMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
13
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.04
TPSA
44.76

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
2
Consensus LogP
2.22
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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