CAS RN: 49843-23-4
5-Bromopyridin-2(1H)-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.20250907 | 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINB899752
49843-23-4 / 5-bromo-1H-pyridin-2-one
Basic Information
CAS
49843-23-4
Multi CAS
Yes
Molecular Formula
BC5H4ORn
Molecular Weight
174.000000
Exact Mass
172.947630
InChI
InChI=1S/C5H4BrNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
NDMZZQRNZFWMEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.76
TPSA
32.86
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
0.6
Consensus LogP
0.91
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-2.97
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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