CAS RN: 656828-00-1
Bis(5-bromopyridin-2-yl)methanone
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.20250802 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: LINB929306
656828-00-1 / bis(5-bromo-2-pyridinyl)methanone
Basic Information
CAS
656828-00-1
Multi CAS
No
Molecular Formula
C11H6BR2N2O
Molecular Weight
341.990000
Exact Mass
341.882640
InChI
InChI=1S/C11H6Br2N2O/c12-7-1-3-9(14-5-7)11(16)10-4-2-8(13)6-15-10/h1-6H
InChIKey
IJJXZGQQYXFQSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
67.31
TPSA
42.85
LogP / Solubility
WLOGP
3.23
MLOGP
2.86
XLogP3
3.2
Consensus LogP
3.1
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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