CAS RN: 473706-10-4
4-(4-Fluorophenyl)tetrahydro-2H-pyran-4-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260613 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS473706-10-4
- Purity/Analytical Methods: >99.0%
473706-10-4 / 4-(4-fluorophenyl)oxane-4-carbonitrile
Basic Information
CAS
473706-10-4
Multi CAS
No
Molecular Formula
C12FH12NO
Molecular Weight
205.230000
Exact Mass
205.090292
InChI
InChI=1S/C12H12FNO/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4H,5-8H2
InChIKey
RRRPHYYTXKQYNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.74
TPSA
33.02
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
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)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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