CAS RN: 832735-57-6
4-Bromo-1-(difluoromethyl)pyridin-2(1H)-one
- Product code: SSC-191158
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
832735-57-6 / 4-bromo-1-(difluoromethyl)pyridin-2-one
Basic Information
CAS
832735-57-6
Multi CAS
No
Molecular Formula
BC6H4NORf2
Molecular Weight
224.000000
Exact Mass
222.944430
InChI
InChI=1S/C6H4BrF2NO/c7-4-1-2-10(6(8)9)5(11)3-4/h1-3,6H
InChIKey
XSFOCSAUJRYYKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.66
TPSA
22
LogP / Solubility
WLOGP
2.01
MLOGP
1.77
XLogP3
1.7
Consensus LogP
1.83
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.66
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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