CAS RN: 19655-60-8
6-ETHYLQUINOLINE
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.20260214 | 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS19655-60-8
- Purity/Analytical Methods: >99.0%
19655-60-8 / 6-ethylquinoline
Basic Information
CAS
19655-60-8
Multi CAS
No
Molecular Formula
C11H11N
Molecular Weight
157.210000
Exact Mass
157.089149
SMILES
CCC1=CC2=C(C=C1)N=CC=C2
InChI
InChI=1S/C11H11N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h3-8H,2H2,1H3
InChIKey
VDOYSQQOKJDYDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.12
TPSA
12.89
LogP / Solubility
WLOGP
2.8
MLOGP
2.46
XLogP3
3
Consensus LogP
2.75
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-1.69
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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