CAS RN: 22462-34-6
2(1H)-Pyrimidinone, 4-chloro-5-fluoro- (8CI,9CI)
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.20250610 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS22462-34-6
- Purity/Analytical Methods: >99.0%
22462-34-6 / 6-chloro-5-fluoro-1H-pyrimidin-2-one
Basic Information
CAS
22462-34-6
Multi CAS
No
Molecular Formula
C4H2ClFN2O
Molecular Weight
148.520000
Exact Mass
147.983969
SMILES
C1=NC(=O)NC(=C1F)Cl
InChI
InChI=1S/C4H2ClFN2O/c5-3-2(6)1-7-4(9)8-3/h1H,(H,7,8,9)
InChIKey
DDNCSZUKPVXJAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
29.83
TPSA
45.75
LogP / Solubility
WLOGP
0.56
MLOGP
0.49
XLogP3
0.4
Consensus LogP
0.48
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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)
-3.23
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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