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CAS 956631-90-6 2-Chloro-5,7-difluoroquinoline-3-carbaldehyde molecular structure lightbox
CAS RN: 956631-90-6

2-Chloro-5,7-difluoroquinoline-3-carbaldehyde

  • Product code: SSC-211225
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 956631-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 3 In Stock Hong Kong Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

956631-90-6 / 2-chloro-5,7-difluoroquinoline-3-carbaldehyde

Standard CAS: 956631-90-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956631-90-6
Multi CAS
No
Molecular Formula
C10H4CLF2NO
Molecular Weight
227.590000
Exact Mass
226.994948
InChI
InChI=1S/C10H4ClF2NO/c11-10-5(4-15)1-7-8(13)2-6(12)3-9(7)14-10/h1-4H
InChIKey
NHFLCHHJWIUYNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.06
TPSA
29.96

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
2.8
Consensus LogP
2.8
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.99

Drug-likeness / Medicinal Chemistry

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

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