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CAS 495-99-8 bis(8-hydroxyquinolinium) sulphate molecular structure lightbox
CAS RN: 495-99-8

bis(8-hydroxyquinolinium) sulphate

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251105 100mg In stock Shanghai Inquiry
Batchno.20250817 10mg In stock Shanghai Inquiry
Batchno.20250913 10mg / 25mg Out of stock 8-10 business days Inquiry
Batchno.20250605 250mg Out of stock Inquiry
Batchno.20251024 25mg In stock Shanghai Inquiry
Batchno.20251117 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS495-99-8
  • Purity/Analytical Methods: >99.0%
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495-99-8 / 4-[2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide

Standard CAS: 495-99-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
495-99-8
Multi CAS
Yes
Molecular Formula
C16H16N4O
Molecular Weight
280.320000
Exact Mass
280.132411
InChI
InChI=1S/C16H16N4O/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21/h1-9,21H,(H3,17,18)(H3,19,20)
InChIKey
TUESWZZJYCLFNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
5
Molar refractivity
85.51
TPSA
119.97

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
1.8
Consensus LogP
1.94
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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