![CAS 86110-26-1 ethyl 4-chloroimidazo[1,5-a]quinoxaline-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86110-26-1.gif)
CAS RN: 86110-26-1
ethyl 4-chloroimidazo[1,5-a]quinoxaline-3-carboxylate
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.20251004 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS86110-26-1
- Purity/Analytical Methods: >99.0%
86110-26-1 / ethyl 4-chloroimidazo[1,5-a]quinoxaline-3-carboxylate
Basic Information
CAS
86110-26-1
Multi CAS
No
Molecular Formula
C13H10CLN3O2
Molecular Weight
275.690000
Exact Mass
275.046154
InChI
InChI=1S/C13H10ClN3O2/c1-2-19-13(18)10-11-12(14)16-8-5-3-4-6-9(8)17(11)7-15-10/h3-7H,2H2,1H3
InChIKey
OIHQPMNWYTYQTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
71.46
TPSA
56.49
LogP / Solubility
WLOGP
2.71
MLOGP
2.4
XLogP3
3.7
Consensus LogP
2.94
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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