CAS RN: 583052-24-8
Pyridine, 2-(2,4-difluorophenyl)-4-(1,1-dimethylethyl)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250901 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS583052-24-8
- Purity/Analytical Methods: >99.0%
583052-24-8 / 4-tert-butyl-2-(2,4-difluorophenyl)pyridine
Basic Information
CAS
583052-24-8
Multi CAS
No
Molecular Formula
C15F2H15N
Molecular Weight
247.280000
Exact Mass
247.117256
InChI
InChI=1S/C15H15F2N/c1-15(2,3)10-6-7-18-14(8-10)12-5-4-11(16)9-13(12)17/h4-9H,1-3H3
InChIKey
WVAZMTOPXXDDOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
68.29
TPSA
12.89
LogP / Solubility
WLOGP
4.32
MLOGP
3.81
XLogP3
4.4
Consensus LogP
4.18
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16
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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