CAS RN: 58155-80-9
6-(tert-butoxy)pyridin-3-amine
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.20260109 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS58155-80-9
- Purity/Analytical Methods: >99.0%
58155-80-9 / 6-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
Basic Information
CAS
58155-80-9
Multi CAS
No
Molecular Formula
C9H14N2O
Molecular Weight
166.220000
Exact Mass
166.110613
InChI
InChI=1S/C9H14N2O/c1-9(2,3)12-8-5-4-7(10)6-11-8/h4-6H,10H2,1-3H3
InChIKey
HRLHJWKMOMDDND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.03
TPSA
48.14
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.5
Consensus LogP
1.65
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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