CAS RN: 1406786-33-1
2-Pyridinemethanamine, 5-bromo-N-(1,1-dimethylethyl)-
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.20250607 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1406786-33-1
- Purity/Analytical Methods: >99.0%
1406786-33-1 / N-[(5-bromo-2-pyridinyl)methyl]-2-methylpropan-2-amine
Basic Information
CAS
1406786-33-1
Multi CAS
No
Molecular Formula
C10H15BrN2
Molecular Weight
243.140000
Exact Mass
242.041860
SMILES
CC(C)(C)NCC1=NC=C(C=C1)Br
InChI
InChI=1S/C10H15BrN2/c1-10(2,3)13-7-9-5-4-8(11)6-12-9/h4-6,13H,7H2,1-3H3
InChIKey
LVPVGDVGGWEWMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.53
TPSA
24.92
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
1.9
Consensus LogP
2.35
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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