![CAS 92180-79-5 2-AMINO-3,7,8-TRIMETHYL-3H-IMIDAZO[4,5-F]QUINOXALINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/92180-79-5.gif)
CAS RN: 92180-79-5
2-AMINO-3,7,8-TRIMETHYL-3H-IMIDAZO[4,5-F]QUINOXALINE
Product Availability
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5 package records3 with current stock1 grade group
- Product code: starshine_CAS92180-79-5
- Purity/Analytical Methods: >99.0%
92180-79-5 / 3,7,8-trimethylimidazo[4,5-f]quinoxalin-2-amine
Basic Information
CAS
92180-79-5
Multi CAS
Yes
Molecular Formula
C12H13N5
Molecular Weight
227.270000
Exact Mass
227.117095
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)
InChIKey
JFQHIQJNQCWLNR-UHFFFAOYSA-N
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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