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CAS 844694-84-4 Donepezil Impurity molecular structure lightbox
CAS RN: 844694-84-4

Donepezil Impurity

  • Product code: SSC-191966
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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 844694-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

844694-84-4 / 1-benzyl-4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidine

Standard CAS: 844694-84-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
844694-84-4
Multi CAS
No
Molecular Formula
C24H31NO2
Molecular Weight
365.500000
Exact Mass
365.235479
InChI
InChI=1S/C24H31NO2/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19/h3-7,15-16,18,20H,8-14,17H2,1-2H3
InChIKey
DUOWFFYJKGBOQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
109.5
TPSA
21.7

LogP / Solubility

WLOGP
4.72
MLOGP
4.17
XLogP3
5.2
Consensus LogP
4.7
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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