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CAS 408526-50-1 5,6-DICHLORONICOTINALDEHYDE molecular structure lightbox
CAS RN: 408526-50-1

5,6-DICHLORONICOTINALDEHYDE

  • Product code: SSC-149239
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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: 5g
  • 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 408526-50-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

408526-50-1 / 5,6-dichloropyridine-3-carbaldehyde

Standard CAS: 408526-50-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
408526-50-1
Multi CAS
Yes
Molecular Formula
C6H3CL2NO
Molecular Weight
176.000000
Exact Mass
174.959169
InChI
InChI=1S/C6H3Cl2NO/c7-5-2-1-4(3-10)9-6(5)8/h1-3H
InChIKey
LBFWMBHWZLKQLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.64
TPSA
29.96

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
1.9
Consensus LogP
2.01
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

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

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