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CAS RN: 52333-31-0
7-Bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
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.20250216 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS52333-31-0
- Purity/Analytical Methods: >99.0%
52333-31-0 / 7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
Basic Information
CAS
52333-31-0
Multi CAS
No
Molecular Formula
BC7H8Rn3
Molecular Weight
214.060000
Exact Mass
212.990160
InChI
InChI=1S/C7H8BrN3/c8-5-3-6-7(11-4-5)10-2-1-9-6/h3-4,9H,1-2H2,(H,10,11)
InChIKey
QOMPZPDKILKUGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.92
TPSA
36.95
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1.6
Consensus LogP
1.59
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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