CAS RN: 1622842-84-5
2-Bromo-6-(piperidin-4-yl)pyridine-d8
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.20260327 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889936
1622842-84-5 / 2-bromo-3,4,5-trideuterio-6-(3,3,4,5,5-pentadeuteriopiperidin-4-yl)pyridine
Basic Information
CAS
1622842-84-5
Multi CAS
No
Molecular Formula
C10H13BrN2
Molecular Weight
249.180000
Exact Mass
248.076420
SMILES
[2H]C1=C(C(=NC(=C1[2H])Br)C2(C(CNCC2([2H])[2H])([2H])[2H])[2H])[2H]
InChI
InChI=1S/C10H13BrN2/c11-10-3-1-2-9(13-10)8-4-6-12-7-5-8/h1-3,8,12H,4-7H2/i1D,2D,3D,4D2,5D2,8D
InChIKey
GXFBOVFZFPEMRU-QDODCGLFSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.78
TPSA
24.92
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.55
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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