CAS RN: 120013-57-2
5-O-Desmethyl Donepezil
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251012 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS120013-57-2
- Purity/Analytical Methods: >99.0%
120013-57-2 / 2-[(1-benzylpiperidin-4-yl)methyl]-5-hydroxy-6-methoxy-2,3-dihydroinden-1-one
5-O-Desmethyl Donepezil | Donepezil (m2) | Donepezil (metabolite m2)
Basic Information
CAS
120013-57-2
Multi CAS
Yes
Molecular Formula
C23H27NO3
Molecular Weight
365.500000
Exact Mass
365.199094
SMILES
COC1=C(C=C2CC(C(=O)C2=C1)CC3CCN(CC3)CC4=CC=CC=C4)O
InChI
InChI=1S/C23H27NO3/c1-27-22-14-20-18(13-21(22)25)12-19(23(20)26)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3
InChIKey
DSMISVLYMKJMLP-UHFFFAOYSA-N
Synonyms
5-O-Desmethyl Donepezil
Donepezil (m2)
Donepezil (metabolite m2)
5-O-Desmethyldonepezil
UNII-56R452SD5N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
105.24
TPSA
49.77
LogP / Solubility
WLOGP
4.06
MLOGP
3.59
XLogP3
3.9
Consensus LogP
3.85
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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