![CAS 885468-61-1 1-[4-(pyridin-4-yl)phenyl]ethan-1-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885468-61-1.gif)
CAS RN: 885468-61-1
1-[4-(pyridin-4-yl)phenyl]ethan-1-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.20250407 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885468-61-1
- Purity/Analytical Methods: >99.0%
885468-61-1 / 1-(4-pyridin-4-ylphenyl)ethanamine
Basic Information
CAS
885468-61-1
Multi CAS
No
Molecular Formula
C13H14N2
Molecular Weight
198.260000
Exact Mass
198.115698
InChI
InChI=1S/C13H14N2/c1-10(14)11-2-4-12(5-3-11)13-6-8-15-9-7-13/h2-10H,14H2,1H3
InChIKey
KPBHYDOOJXDXBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.28
TPSA
38.91
LogP / Solubility
WLOGP
2.77
MLOGP
2.44
XLogP3
1.8
Consensus LogP
2.34
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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