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CAS 1923846-48-3 6-Fluoro-4-(1,4-dioxaspiro[4.5]decan-8-yl)quinoline molecular structure lightbox
CAS RN: 1923846-48-3

6-Fluoro-4-(1,4-dioxaspiro[4.5]decan-8-yl)quinoline

  • Product code: SSC-090033
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1923846-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1923846-48-3 / 4-(1,4-dioxaspiro[4.5]decan-8-yl)-6-fluoroquinoline

Standard CAS: 1923846-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1923846-48-3
Multi CAS
No
Molecular Formula
C17H18FNO2
Molecular Weight
287.330000
Exact Mass
287.132157
SMILES
C1CC2(CCC1C3=C4C=C(C=CC4=NC=C3)F)OCCO2
InChI
InChI=1S/C17H18FNO2/c18-13-1-2-16-15(11-13)14(5-8-19-16)12-3-6-17(7-4-12)20-9-10-21-17/h1-2,5,8,11-12H,3-4,6-7,9-10H2
InChIKey
RMTJPOUTNIIJNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
77.55
TPSA
31.35

LogP / Solubility

WLOGP
3.77
MLOGP
3.33
XLogP3
3
Consensus LogP
3.37
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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