CAS RN: 1255147-27-3
7-Acetyl-3,4-dihydroquinoxalin-2(1H)-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.20251219 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1255147-27-3
- Purity/Analytical Methods: >99.0%
1255147-27-3 / 7-acetyl-3,4-dihydro-1H-quinoxalin-2-one
Basic Information
CAS
1255147-27-3
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CC(=O)C1=CC2=C(C=C1)NCC(=O)N2
InChI
InChI=1S/C10H10N2O2/c1-6(13)7-2-3-8-9(4-7)12-10(14)5-11-8/h2-4,11H,5H2,1H3,(H,12,14)
InChIKey
HCGVJALEHMCHGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.57
TPSA
58.2
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
0.6
Consensus LogP
0.98
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-2.99
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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