CAS RN: 1189421-19-9

2-Amino-3,7,8-trimethyl-3H-imidazo[4,5-f]quinoxaline-D3

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  • Product code: starshine_CAS1189421-19-9
  • Purity/Analytical Methods: >99.0%
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1189421-19-9 / 7,8-dimethyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoxalin-2-amine

7,8-DimeIQX | 3,7,8-trimethyl-3h-imidazo[4,5-f]quinoxalin-2-amine | 2-Amino-3,7,8-trimethylimidazo(4,5-f)quinoxaline

Standard CAS: 1189421-19-9 Multi CAS: Yes

Basic Information

CAS
1189421-19-9
Multi CAS
Yes
Molecular Formula
C12H13N5
Molecular Weight
230.280000
Exact Mass
230.135926
SMILES
[2H]C([2H])([2H])N1C2=C(C3=NC(=C(N=C3C=C2)C)C)N=C1N
InChI
InChI=1S/C12H13N5/c1-6-7(2)15-10-8(14-6)4-5-9-11(10)16-12(13)17(9)3/h4-5H,1-3H3,(H2,13,16)/i3D3
InChIKey
JFQHIQJNQCWLNR-HPRDVNIFSA-N
Synonyms
7,8-DimeIQX 3,7,8-trimethyl-3h-imidazo[4,5-f]quinoxalin-2-amine 2-Amino-3,7,8-trimethylimidazo(4,5-f)quinoxaline 7-Methyl meiqx DTXSID10238913

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.25
H-bond acceptors
5
H-bond donors
1
Molar refractivity
67.7
TPSA
69.62

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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