![CAS 77500-04-0 2-AMINO-3,8-DIMETHYLIMIDAZO[4,5-F]QUINOXALINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77500-04-0.gif)
CAS RN: 77500-04-0
2-AMINO-3,8-DIMETHYLIMIDAZO[4,5-F]QUINOXALINE
Product Availability
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3 package records2 with current stock2 grade groups
- Product code: starshine_CAS77500-04-0
- Purity/Analytical Methods: >99.0%
77500-04-0 / 3,8-dimethylimidazo[4,5-f]quinoxalin-2-amine
Basic Information
CAS
77500-04-0
Multi CAS
No
Molecular Formula
C11H11N5
Molecular Weight
213.240000
Exact Mass
213.101445
InChI
InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)
InChIKey
DVCCCQNKIYNAKB-UHFFFAOYSA-N
Physical Properties
Melting Point
295 - 300 °C
Physical Description
Yellow solid;
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.18
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.96
TPSA
69.62
LogP / Solubility
WLOGP
1.41
MLOGP
1.24
XLogP3
1
Consensus LogP
1.22
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-3.02
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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- Product Code: starshine_CAS77529-38-5
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