CAS RN: 848289-47-4
WAY-651445
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.20251225 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS848289-47-4
- Purity/Analytical Methods: >99.0%
848289-47-4 / [2-(ethylamino)-2-oxoethyl] 1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxylate
Basic Information
CAS
848289-47-4
Multi CAS
Yes
Molecular Formula
C15H17N3O5
Molecular Weight
319.310000
Exact Mass
319.116821
InChI
InChI=1S/C15H17N3O5/c1-3-16-12(19)8-23-15(22)9-5-6-11-10(7-9)17-13(20)14(21)18(11)4-2/h5-7H,3-4,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKey
WANBJSCJQDFDDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
83.47
TPSA
110.26
LogP / Solubility
MLOGP
0.02
XLogP3
0.6
Consensus LogP
0.21
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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