CAS RN: 22191-97-5
2-(4-Aminophenyl)quinoline
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS22191-97-5
- Purity/Analytical Methods: >99.0%
22191-97-5 / 4-quinolin-2-ylaniline
Basic Information
CAS
22191-97-5
Multi CAS
No
Molecular Formula
C15H12N2
Molecular Weight
220.270000
Exact Mass
220.100048
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H12N2/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)17-15/h1-10H,16H2
InChIKey
PWLMSCCFNGGPGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.59
TPSA
38.91
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
3.2
Consensus LogP
3.25
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
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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(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE
- CAS RN: 22195-47-7
- Product Code: SSC-106776
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![CAS 22195-47-7 (2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22195-47-7.gif)
