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CAS 54675-49-9 8-Bromo-3-nitroquinoline-2,4-diol molecular structure lightbox
CAS RN: 54675-49-9

8-Bromo-3-nitroquinoline-2,4-diol

  • Product code: SSC-162477
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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 54675-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

54675-49-9 / 8-bromo-4-hydroxy-3-nitro-1H-quinolin-2-one

Standard CAS: 54675-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54675-49-9
Multi CAS
No
Molecular Formula
BC9H5O4Rn2
Molecular Weight
285.050000
Exact Mass
283.943270
InChI
InChI=1S/C9H5BrN2O4/c10-5-3-1-2-4-6(5)11-9(14)7(8(4)13)12(15)16/h1-3H,(H2,11,13,14)
InChIKey
UTUOMEKCHNGHOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.59
TPSA
96.23

LogP / Solubility

WLOGP
1.9
MLOGP
1.69
XLogP3
2
Consensus LogP
1.86
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

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

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