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CAS 73776-24-6 3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-2-oxo- molecular structure lightbox
CAS RN: 73776-24-6

3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-2-oxo-

  • Product code: SSC-183180
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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: ＞97%
  • 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 73776-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

73776-24-6 / 4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid

Standard CAS: 73776-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73776-24-6
Multi CAS
No
Molecular Formula
C10H7NO4
Molecular Weight
205.170000
Exact Mass
205.037508
InChI
InChI=1S/C10H7NO4/c12-8-5-3-1-2-4-6(5)11-9(13)7(8)10(14)15/h1-4H,(H,14,15)(H2,11,12,13)
InChIKey
JEBJIWLJHQOTIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
53.19
TPSA
90.39

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
1.5
Consensus LogP
1.08
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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