![CAS 1928706-28-8 Pyrazine, 2,2′-[4-(4-bromophenyl)-2,6-pyridinediyl]bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1928706-28-8.gif)
CAS RN: 1928706-28-8
Pyrazine, 2,2′-[4-(4-bromophenyl)-2,6-pyridinediyl]bis-
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.20260123 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1928706-28-8
- Purity/Analytical Methods: >99.0%
1928706-28-8 / 2-[4-(4-bromophenyl)-6-pyrazin-2-yl-2-pyridinyl]pyrazine
Basic Information
CAS
1928706-28-8
Multi CAS
No
Molecular Formula
C19H12BrN5
Molecular Weight
390.200000
Exact Mass
389.027610
SMILES
C1=CC(=CC=C1C2=CC(=NC(=C2)C3=NC=CN=C3)C4=NC=CN=C4)Br
InChI
InChI=1S/C19H12BrN5/c20-15-3-1-13(2-4-15)14-9-16(18-11-21-5-7-23-18)25-17(10-14)19-12-22-6-8-24-19/h1-12H
InChIKey
BDVYRUBAVRNNAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
99.43
TPSA
64.45
LogP / Solubility
WLOGP
4.43
MLOGP
3.92
XLogP3
2.3
Consensus LogP
3.55
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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