CAS RN: 85979-59-5
2-Chloro-4-(4-fluoro-phenyl)-pyrimidine
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.20260208 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS85979-59-5
- Purity/Analytical Methods: >99.0%
85979-59-5 / 2-chloro-4-(4-fluorophenyl)pyrimidine
Basic Information
CAS
85979-59-5
Multi CAS
No
Molecular Formula
C10H6CLFN2
Molecular Weight
208.620000
Exact Mass
208.020354
InChI
InChI=1S/C10H6ClFN2/c11-10-13-6-5-9(14-10)7-1-3-8(12)4-2-7/h1-6H
InChIKey
DGTAWQNEBOGYLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.44
TPSA
25.78
LogP / Solubility
WLOGP
2.94
MLOGP
2.58
XLogP3
2.9
Consensus LogP
2.81
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
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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