CAS RN: 120013-84-5
RAC (CIS/TRANS) DONEPEZIL N-OXIDE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260313 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS120013-84-5
- Purity/Analytical Methods: >99.0%
120013-84-5 / 2-[(1-benzyl-1-oxidopiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
Donepezil N-Oxide | rac (cis/trans) Donepezil N-Oxide | Donepezil-N-Oxide
Basic Information
CAS
120013-84-5
Multi CAS
No
Molecular Formula
C24H29NO4
Molecular Weight
395.500000
Exact Mass
395.209658
SMILES
COC1=C(C=C2C(=C1)CC(C2=O)CC3CC[N+](CC3)(CC4=CC=CC=C4)[O-])OC
InChI
InChI=1S/C24H29NO4/c1-28-22-14-19-13-20(24(26)21(19)15-23(22)29-2)12-17-8-10-25(27,11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
InChIKey
XRPRYHONRUINMG-UHFFFAOYSA-N
Synonyms
Donepezil N-Oxide
rac (cis/trans) Donepezil N-Oxide
Donepezil-N-Oxide
Donepezil (metabolite m6)
1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-oxido-1-(phenylmethyl)-4-piperidinyl]methyl]-
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
111.92
TPSA
58.59
LogP / Solubility
WLOGP
4.37
MLOGP
3.87
XLogP3
3.7
Consensus LogP
3.98
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.58
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
1-Benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylindenemethyl)piperidine
- CAS RN: 120014-07-5
- Product Code: SSC-020828
-
(2R,3S,5R)-2-((BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)METHYL)-5-(2,4-DIOXO-5-(3-(2,2,2-TRIFLUOROACETAMIDO)PROP-1-YNYL)-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-3-YL 2-CYANOETHYL DIISOPROPYLPHOSPHORAMIDITE
- CAS RN: 120016-98-0
- Product Code: starshine_CAS120016-98-0
- Purity/Analytical method: >99.0%
-
Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (3R)- (9CI)
- CAS RN: 120021-39-8
- Product Code: SSC-020831
-
edgeworin
- CAS RN: 120028-43-5
- Product Code: starshine_CAS120028-43-5
- Purity/Analytical method: >99.0%
-
N-tert-Butyloxycarbonyl Glutathione DiMethyl Diester
- CAS RN: 120033-58-1
- Product Code: SSC-020835
![CAS 120021-39-8 Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (3R)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/120021-39-8.gif)
