CAS RN: 82315-66-0
2-bromo-6-(dibromomethyl) pyridine
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.20250418 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS82315-66-0
- Purity/Analytical Methods: >99.0%
82315-66-0 / 2-bromo-6-(dibromomethyl)pyridine
Basic Information
CAS
82315-66-0
Multi CAS
No
Molecular Formula
C6H4BR3N
Molecular Weight
329.810000
Exact Mass
328.787340
InChI
InChI=1S/C6H4Br3N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H
InChIKey
DADDHGFITKVJIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.53
TPSA
12.89
LogP / Solubility
WLOGP
3.63
MLOGP
3.21
XLogP3
3.4
Consensus LogP
3.41
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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