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CAS 287196-80-9 (2,6-DICHLOROPYRIDIN-4-YL)(PIPERIDINO)METHANONE molecular structure lightbox
CAS RN: 287196-80-9

(2,6-DICHLOROPYRIDIN-4-YL)(PIPERIDINO)METHANONE

  • Product code: SSC-130369
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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 287196-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

287196-80-9 / (2,6-dichloro-4-pyridinyl)-piperidin-1-ylmethanone

Standard CAS: 287196-80-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
287196-80-9
Multi CAS
No
Molecular Formula
C11H12Cl2N2O
Molecular Weight
259.130000
Exact Mass
258.032668
InChI
InChI=1S/C11H12Cl2N2O/c12-9-6-8(7-10(13)14-9)11(16)15-4-2-1-3-5-15/h6-7H,1-5H2
InChIKey
RHHFYTMPVURVTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
64.01
TPSA
33.2

LogP / Solubility

WLOGP
3.01
MLOGP
2.66
XLogP3
3.1
Consensus LogP
2.92
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

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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