![CAS 1216791-04-6 2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-F]quinoxaline-d3 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32507818.gif)
CAS RN: 1216791-04-6
2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-F]quinoxaline-d3
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.20251231 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1216791-04-6
- Purity/Analytical Methods: >99.0%
1216791-04-6 / 4,7,8-trimethyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoxalin-2-amine
Basic Information
CAS
1216791-04-6
Multi CAS
No
Molecular Formula
C13H15N5
Molecular Weight
244.310000
Exact Mass
244.151576
SMILES
[2H]C([2H])([2H])N1C2=C(C3=NC(=C(N=C3C=C2C)C)C)N=C1N
InChI
InChI=1S/C13H15N5/c1-6-5-9-10(16-8(3)7(2)15-9)11-12(6)18(4)13(14)17-11/h5H,1-4H3,(H2,14,17)/i4D3
InChIKey
MCFPPHKNJUOYBX-GKOSEXJESA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
13
Fraction Csp3
0.31
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.43
TPSA
69.62
LogP / Solubility
WLOGP
2.02
MLOGP
1.79
XLogP3
1.5
Consensus LogP
1.77
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
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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