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CAS 1215363-28-2 2-Amino-3-methyl-3H-imidazo[4,5-f]quinoxaline-d3 molecular structure lightbox
CAS RN: 1215363-28-2

2-Amino-3-methyl-3H-imidazo[4,5-f]quinoxaline-d3

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1215363-28-2
  • Purity/Analytical Methods: >99.0%
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1215363-28-2 / 3-(trideuteriomethyl)imidazo[4,5-f]quinoxalin-2-amine

Standard CAS: 1215363-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215363-28-2
Multi CAS
No
Molecular Formula
C10H9N5
Molecular Weight
202.230000
Exact Mass
202.104626
SMILES
[2H]C([2H])([2H])N1C2=C(C3=NC=CN=C3C=C2)N=C1N
InChI
InChI=1S/C10H9N5/c1-15-7-3-2-6-8(13-5-4-12-6)9(7)14-10(15)11/h2-5H,1H3,(H2,11,14)/i1D3
InChIKey
HKZZYGFWIFKKIR-FIBGUPNXSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
Fraction Csp3
0.1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
58.22
TPSA
69.62

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
0.6
Consensus LogP
0.89
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

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

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