CAS RN: 514797-96-7
2(1H)-Pyridinone,5-chloro-3-fluoro-(9CI)
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.20260125 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-158315
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, 5g
- 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.
514797-96-7 / 5-chloro-3-fluoro-1H-pyridin-2-one
Basic Information
CAS
514797-96-7
Multi CAS
Yes
Molecular Formula
C5H3CLFNO
Molecular Weight
147.530000
Exact Mass
146.988720
InChI
InChI=1S/C5H3ClFNO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKey
AKLNMOLGRGQMFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.03
TPSA
32.86
LogP / Solubility
WLOGP
1.17
MLOGP
1.02
XLogP3
0.9
Consensus LogP
1.03
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
