CAS RN: 209336-49-2
1-Ethyl-6-fluoro-1,2,3,4-tetrahydroquinoline
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.20250517 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS209336-49-2
- Purity/Analytical Methods: >99.0%
209336-49-2 / 1-ethyl-6-fluoro-3,4-dihydro-2H-quinoline
Basic Information
CAS
209336-49-2
Multi CAS
No
Molecular Formula
C11H14FN
Molecular Weight
179.230000
Exact Mass
179.111028
SMILES
CCN1CCCC2=C1C=CC(=C2)F
InChI
InChI=1S/C11H14FN/c1-2-13-7-3-4-9-8-10(12)5-6-11(9)13/h5-6,8H,2-4,7H2,1H3
InChIKey
XQSXTMUEVFFMQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.61
TPSA
3.24
LogP / Solubility
WLOGP
2.6
MLOGP
2.28
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-1.97
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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