CAS RN: 916811-87-5
7-BROMO-2-(4-MORPHOLINYL)QUINOXALINE
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.20250524 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS916811-87-5
- Purity/Analytical Methods: >99.0%
916811-87-5 / 4-(7-bromoquinoxalin-2-yl)morpholine
Basic Information
CAS
916811-87-5
Multi CAS
No
Molecular Formula
BC12H12ORn3
Molecular Weight
294.150000
Exact Mass
293.016370
InChI
InChI=1S/C12H12BrN3O/c13-9-1-2-10-11(7-9)15-12(8-14-10)16-3-5-17-6-4-16/h1-2,7-8H,3-6H2
InChIKey
YQPUONDOWMMGGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
70.27
TPSA
38.25
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
2
Consensus LogP
2.07
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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