![CAS 1439902-17-6 8′-Fluoro-2′,4′-dihydro-1’H-spiro[oxane-4,3′-quinoline] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1439902-17-6.gif)
CAS RN: 1439902-17-6
8′-Fluoro-2′,4′-dihydro-1’H-spiro[oxane-4,3′-quinoline]
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.20260509 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1439902-17-6
- Purity/Analytical Methods: >99.0%
1439902-17-6 / 8-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-oxane]
Basic Information
CAS
1439902-17-6
Multi CAS
No
Molecular Formula
C13H16FNO
Molecular Weight
221.270000
Exact Mass
221.121592
SMILES
C1COCCC12CC3=C(C(=CC=C3)F)NC2
InChI
InChI=1S/C13H16FNO/c14-11-3-1-2-10-8-13(9-15-12(10)11)4-6-16-7-5-13/h1-3,15H,4-9H2
InChIKey
ILCFKJPNZXVMMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.08
TPSA
21.26
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.5
Consensus LogP
2.46
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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