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CAS 56990-57-9 5-Quinolinesulfonic acid, 8-hydroxy-7-(6-sulfo-2-naphthylazo)- molecular structure lightbox
CAS RN: 56990-57-9

5-Quinolinesulfonic acid, 8-hydroxy-7-(6-sulfo-2-naphthylazo)-

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260623 100mg Out of stock Inquiry
Batchno.20250320 250mg Out of stock Inquiry
Batchno.20260108 25mg In stock Shanghai Inquiry
Batchno.20251227 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS56990-57-9
  • Purity/Analytical Methods: >99.0%
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56990-57-9 / 8-hydroxy-7-[(6-sulfonaphthalen-2-yl)diazenyl]quinoline-5-sulfonic acid

Standard CAS: 56990-57-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56990-57-9
Multi CAS
Yes
Molecular Formula
C19H13N3O7S2
Molecular Weight
459.500000
Exact Mass
459.019492
InChI
InChI=1S/C19H13N3O7S2/c23-19-16(10-17(31(27,28)29)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30(24,25)26)6-4-11(12)8-13/h1-10,23H,(H,24,25,26)(H,27,28,29)
InChIKey
XGMFVZOKHBRUTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
20
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
3
Molar refractivity
111.16
TPSA
166.58

LogP / Solubility

WLOGP
4
MLOGP
3.55
XLogP3
2.4
Consensus LogP
3.32
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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