![CAS 145698-32-4 Benzene, 1-[(4-fluorophenyl)ethynyl]-4-propyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/145698-32-4.gif)
CAS RN: 145698-32-4
Benzene, 1-[(4-fluorophenyl)ethynyl]-4-propyl-
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250613 | 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250401 | 5g | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260126 | 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS145698-32-4
- Purity/Analytical Methods: >99.0%
145698-32-4 / 1-fluoro-4-[2-(4-propylphenyl)ethynyl]benzene
Basic Information
CAS
145698-32-4
Multi CAS
No
Molecular Formula
C17H15F
Molecular Weight
238.300000
Exact Mass
238.115779
SMILES
CCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)F
InChI
InChI=1S/C17H15F/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18)13-11-16/h4-7,10-13H,2-3H2,1H3
InChIKey
VQFRZGGKKHHZML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
72.82
TPSA
0.0000
LogP / Solubility
WLOGP
4.18
MLOGP
3.68
XLogP3
5.4
Consensus LogP
4.42
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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