CAS RN: 1283108-26-8
6-(3-Methyl-1,2,4-oxadiazol-5-yl)quinoxaline
- Product code: SSC-035610
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1283108-26-8 / 3-methyl-5-quinoxalin-6-yl-1,2,4-oxadiazole
Basic Information
CAS
1283108-26-8
Multi CAS
No
Molecular Formula
C11H8N4O
Molecular Weight
212.210000
Exact Mass
212.069811
SMILES
CC1=NOC(=N1)C2=CC3=NC=CN=C3C=C2
InChI
InChI=1S/C11H8N4O/c1-7-14-11(16-15-7)8-2-3-9-10(6-8)13-5-4-12-9/h2-6H,1H3
InChIKey
XXCFZAVDEOFSOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
57.57
TPSA
64.7
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.5
Consensus LogP
1.75
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.6
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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