CAS RN: 13297-35-3
3-ETHYL-1,2-DIHYDROQUINOXALIN-2-ONE
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.20250731 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS13297-35-3
- Purity/Analytical Methods: >99.0%
13297-35-3 / 3-ethyl-1H-quinoxalin-2-one
Basic Information
CAS
13297-35-3
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
CCC1=NC2=CC=CC=C2NC1=O
InChI
InChI=1S/C10H10N2O/c1-2-7-10(13)12-9-6-4-3-5-8(9)11-7/h3-6H,2H2,1H3,(H,12,13)
InChIKey
DZBGIZOIMSCJLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.74
TPSA
45.75
LogP / Solubility
WLOGP
1.49
MLOGP
1.3
XLogP3
1.2
Consensus LogP
1.33
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Purity/Analytical method: >99.0%
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