CAS RN: 98027-81-7
2,6-Dibromo-4-nitropyridine oxide
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.20260105 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LIND828144
98027-81-7 / 2,6-dibromo-4-nitro-1-oxidopyridin-1-ium
Basic Information
CAS
98027-81-7
Multi CAS
Yes
Molecular Formula
C5H2BR2N2O3
Molecular Weight
297.890000
Exact Mass
297.841170
InChI
InChI=1S/C5H2Br2N2O3/c6-4-1-3(9(11)12)2-5(7)8(4)10/h1-2H
InChIKey
MJEDSUKRJRIBKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.46
TPSA
70.08
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
