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CAS 364793-52-2 6-Bromo-4-hydroxyquinoline-3- carbonitrile molecular structure lightbox
CAS RN: 364793-52-2

6-Bromo-4-hydroxyquinoline-3- carbonitrile

  • Product code: SSC-143663
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 364793-52-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

364793-52-2 / 6-bromo-4-oxo-1H-quinoline-3-carbonitrile

Standard CAS: 364793-52-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
364793-52-2
Multi CAS
Yes
Molecular Formula
BC10H5ORn2
Molecular Weight
249.060000
Exact Mass
247.958530
InChI
InChI=1S/C10H5BrN2O/c11-7-1-2-9-8(3-7)10(14)6(4-12)5-13-9/h1-3,5H,(H,13,14)
InChIKey
HEKLYXFAPJNHEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.98
TPSA
56.65

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

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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