CAS RN: 1822926-68-0
3-Bromo-5-methylpyridin-4-ol
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.20260218 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1822926-68-0
- Purity/Analytical Methods: >99.0%
1822926-68-0 / 3-bromo-5-methyl-1H-pyridin-4-one
Basic Information
CAS
1822926-68-0
Multi CAS
No
Molecular Formula
C6H6BrNO
Molecular Weight
188.020000
Exact Mass
186.963280
SMILES
CC1=CNC=C(C1=O)Br
InChI
InChI=1S/C6H6BrNO/c1-4-2-8-3-5(7)6(4)9/h2-3H,1H3,(H,8,9)
InChIKey
IWMFOFUFEYSHJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.5
TPSA
32.86
LogP / Solubility
WLOGP
1.45
MLOGP
1.27
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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