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CAS 83763-22-8 [1-(2-aminoethyl)piperidin-4-yl] (4-fluorophenyl) ketone molecular structure lightbox
CAS RN: 83763-22-8

[1-(2-aminoethyl)piperidin-4-yl] (4-fluorophenyl) ketone

  • Product code: SSC-191472
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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 83763-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

83763-22-8 / [1-(2-aminoethyl)piperidin-4-yl]-(4-fluorophenyl)methanone

Standard CAS: 83763-22-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83763-22-8
Multi CAS
No
Molecular Formula
C14FH19N2O
Molecular Weight
250.310000
Exact Mass
250.148141
InChI
InChI=1S/C14H19FN2O/c15-13-3-1-11(2-4-13)14(18)12-5-8-17(9-6-12)10-7-16/h1-4,12H,5-10,16H2
InChIKey
VWLIPIMEJFEFNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.95
TPSA
46.33

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.3
Consensus LogP
1.49
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

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