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CAS 1219806-48-0 9-Amino-1,2,3,4-tetrahydroacridin-1-ol-d3 Maleate molecular structure lightbox
CAS RN: 1219806-48-0

9-Amino-1,2,3,4-tetrahydroacridin-1-ol-d3 Maleate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1219806-48-0
  • Purity/Analytical Methods: >99.0%
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1219806-48-0 / 9-amino-1,2,2-trideuterio-3,4-dihydroacridin-1-ol;(Z)-but-2-enedioic acid

Standard CAS: 1219806-48-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219806-48-0
Multi CAS
No
Molecular Formula
C17H18N2O5
Molecular Weight
333.350000
Exact Mass
333.140402
SMILES
[2H]C1(CCC2=NC3=CC=CC=C3C(=C2C1([2H])O)N)[2H].C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C13H14N2O.C4H4O4/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13;5-3(6)1-2-4(7)8/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-/i7D2,11D;
InChIKey
NEEKVKZFYBQFGT-DPIYXFFGSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
88.46
TPSA
133.74

LogP / Solubility

WLOGP
1.9
MLOGP
1.69
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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