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CAS 503843-54-7 2,6-Dichloro-4-isopropyl-nicotinonitrile molecular structure lightbox
CAS RN: 503843-54-7

2,6-Dichloro-4-isopropyl-nicotinonitrile

  • Product code: SSC-156886
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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 503843-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

503843-54-7 / 2,6-dichloro-4-propan-2-ylpyridine-3-carbonitrile

Standard CAS: 503843-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
503843-54-7
Multi CAS
No
Molecular Formula
C9H8CL2N2
Molecular Weight
215.080000
Exact Mass
214.006454
InChI
InChI=1S/C9H8Cl2N2/c1-5(2)6-3-8(10)13-9(11)7(6)4-12/h3,5H,1-2H3
InChIKey
HVFVSBDQCMUTKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.06
TPSA
36.68

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.6
Consensus LogP
3.32
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly 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)
-1.63

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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