CAS RN: 31181-64-3
5-BROMO-2-METHYLPYRIDINE N-OXIDE
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.20250508 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS31181-64-3
- Purity/Analytical Methods: >99.0%
31181-64-3 / 5-bromo-2-methyl-1-oxidopyridin-1-ium
Basic Information
CAS
31181-64-3
Multi CAS
Yes
Molecular Formula
BC6H6ORn
Molecular Weight
188.020000
Exact Mass
186.963280
InChI
InChI=1S/C6H6BrNO/c1-5-2-3-6(7)4-8(5)9/h2-4H,1H3
InChIKey
NEEHOROWKICRQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
37.84
TPSA
26.94
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
0.9
Consensus LogP
1.17
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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