![CAS 91895-40-8 [1,2,4]Triazolo[4,3-a]quinoxaline, 4-chloro-1-ethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/91895-40-8.gif)
CAS RN: 91895-40-8
[1,2,4]Triazolo[4,3-a]quinoxaline, 4-chloro-1-ethyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250718 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS91895-40-8
- Purity/Analytical Methods: >99.0%
91895-40-8 / 4-chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
Basic Information
CAS
91895-40-8
Multi CAS
No
Molecular Formula
C11H9CLN4
Molecular Weight
232.670000
Exact Mass
232.051574
InChI
InChI=1S/C11H9ClN4/c1-2-9-14-15-11-10(12)13-7-5-3-4-6-8(7)16(9)11/h3-6H,2H2,1H3
InChIKey
LFJRTFZMVFGBTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
62.68
TPSA
43.08
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
3.3
Consensus LogP
2.66
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.37
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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