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CAS 63608-13-9 4-(phenoxymethyl)piperidinium chloride molecular structure lightbox
CAS RN: 63608-13-9

4-(phenoxymethyl)piperidinium chloride

  • Product code: SSC-173333
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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 63608-13-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

63608-13-9 / 4-(phenoxymethyl)piperidin-1-ium chloride

Standard CAS: 63608-13-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63608-13-9
Multi CAS
Yes
Molecular Formula
C12H18CLNO
Molecular Weight
227.730000
Exact Mass
227.107692
InChI
InChI=1S/C12H17NO.ClH/c1-2-4-12(5-3-1)14-10-11-6-8-13-9-7-11;/h1-5,11,13H,6-10H2;1H
InChIKey
XRWWXZPTHSCQPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.32
TPSA
25.84

LogP / Solubility

WLOGP
-1.96
MLOGP
-1.72
XLogP3
-1.96
Consensus LogP
-1.88
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
-0.01
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.12
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)
-5.5

Drug-likeness / Medicinal Chemistry

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

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