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CAS 89895-06-7 4-acetylpiperidinium chloride molecular structure lightbox
CAS RN: 89895-06-7

4-acetylpiperidinium chloride

  • Product code: SSC-202088
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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 89895-06-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

89895-06-7 / 1-piperidin-1-ium-4-ylethanone chloride

Standard CAS: 89895-06-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89895-06-7
Multi CAS
Yes
Molecular Formula
C7H14CLNO
Molecular Weight
163.640000
Exact Mass
163.076392
InChI
InChI=1S/C7H13NO.ClH/c1-6(9)7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;1H
InChIKey
BWWUETLSKAKGGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.06
TPSA
33.68

LogP / Solubility

WLOGP
-3.45
MLOGP
-3.04
XLogP3
-3.45
Consensus LogP
-3.31
Log S (ESOL)
1.38
Class (ESOL)
Highly soluble
Log S (Ali)
1.59
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.02
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.17

Drug-likeness / Medicinal Chemistry

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

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