CAS RN: 120013-45-8
Dehydrodeoxy Donepezil (Donepezil Impurity)
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-020824
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
120013-45-8 / 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine
DEHYDRODEOXY DONEPEZIL | UNII-YG0F70BY09 | YG0F70BY09
Basic Information
CAS
120013-45-8
Multi CAS
No
Molecular Formula
C24H29NO2
Molecular Weight
363.500000
Exact Mass
363.219829
SMILES
COC1=C(C=C2C=C(CC2=C1)CC3CCN(CC3)CC4=CC=CC=C4)OC
InChI
InChI=1S/C24H29NO2/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/h3-7,13,15-16,18H,8-12,14,17H2,1-2H3
InChIKey
WEXHLNQRFRJSQX-UHFFFAOYSA-N
Synonyms
DEHYDRODEOXY DONEPEZIL
UNII-YG0F70BY09
YG0F70BY09
DONEPEZIL INDENE
1-Benzyl-4-((5,6-dimethoxyinden-2-yl)methyl)piperidine
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
110.29
TPSA
21.7
LogP / Solubility
WLOGP
4.95
MLOGP
4.37
XLogP3
4.7
Consensus LogP
4.67
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.85
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)
-1.43
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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