CAS RN: 959246-52-7
4-BOC-7-BOCAMINO-3,4-DIHYDROQUINOXALIN-2-ONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250720 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS959246-52-7
- Purity/Analytical Methods: >99.0%
959246-52-7 / tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
Basic Information
CAS
959246-52-7
Multi CAS
No
Molecular Formula
C18H25N3O5
Molecular Weight
363.400000
Exact Mass
363.179421
InChI
InChI=1S/C18H25N3O5/c1-17(2,3)25-15(23)19-11-7-8-13-12(9-11)20-14(22)10-21(13)16(24)26-18(4,5)6/h7-9H,10H2,1-6H3,(H,19,23)(H,20,22)
InChIKey
VFKDJIKUTOOUBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
98.51
TPSA
96.97
LogP / Solubility
WLOGP
3.73
MLOGP
3.3
XLogP3
2.2
Consensus LogP
3.08
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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