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CAS 1261394-20-0 Donepezil-d7 hydrochloride molecular structure lightbox
CAS RN: 1261394-20-0

Donepezil-d7 hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1261394-20-0
  • Purity/Analytical Methods: >99.0%
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1261394-20-0 / 2-[[1-[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride

Standard CAS: 1261394-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261394-20-0
Multi CAS
No
Molecular Formula
C24H30ClNO3
Molecular Weight
423.000000
Exact Mass
422.235359
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])N2CCC(CC2)CC3CC4=CC(=C(C=C4C3=O)OC)OC)[2H])[2H].Cl
InChI
InChI=1S/C24H29NO3.ClH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H/i3D,4D,5D,6D,7D,16D2;
InChIKey
XWAIAVWHZJNZQQ-KABCIJOFSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
117.38
TPSA
38.77

LogP / Solubility

WLOGP
4.78
MLOGP
4.23
XLogP3
4.78
Consensus LogP
4.6
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
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)
-1.86

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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