CAS RN: 153295-35-3
2-Bromo-5-(4-fluorophenyl)pyrazine
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.20250920 | 1g | In stock | Shanghai | Inquiry |
- Product code: LINB905537
153295-35-3 / 2-bromo-5-(4-fluorophenyl)pyrazine
Basic Information
CAS
153295-35-3
Multi CAS
No
Molecular Formula
C10H6BrFN2
Molecular Weight
253.070000
Exact Mass
251.969840
SMILES
C1=CC(=CC=C1C2=CN=C(C=N2)Br)F
InChI
InChI=1S/C10H6BrFN2/c11-10-6-13-9(5-14-10)7-1-3-8(12)4-2-7/h1-6H
InChIKey
PLPAAJCOMZOXAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.13
TPSA
25.78
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
2.6
Consensus LogP
2.78
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
2-Bromo-5-(trifluoromethyl)-1,3,4-oxadiazole
- CAS RN: 1260674-33-6
- Product Code: SSC-031897
-
-
-
