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CAS 98948-82-4 5,8-DIHYDRO-4,6-DIHYDROXY-5,8-DIOXO-2-QUINOLINECARBOXYLIC ACID molecular structure lightbox
CAS RN: 98948-82-4

5,8-DIHYDRO-4,6-DIHYDROXY-5,8-DIOXO-2-QUINOLINECARBOXYLIC ACID

  • Product code: SSC-212879
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 98948-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

98948-82-4 / 8-hydroxy-4,5,6-trioxo-1H-quinoline-2-carboxylic acid

Standard CAS: 98948-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98948-82-4
Multi CAS
No
Molecular Formula
C10H5NO6
Molecular Weight
235.150000
Exact Mass
235.011687
InChI
InChI=1S/C10H5NO6/c12-4-1-3(10(16)17)11-8-5(13)2-6(14)9(15)7(4)8/h1-2,13H,(H,11,12)(H,16,17)
InChIKey
QDPBTTYWHGQEIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
53.97
TPSA
124.53

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.23
XLogP3
-1
Consensus LogP
-0.5
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.34

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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