CAS RN: 221526-72-3
4-((4-Ethyl-2,6-difluorphenyl)-ethinyl)-4′-propylbiphenyl
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260424 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260115 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260606 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251219 | 25g | Out of stock | Inquiry | ||
| Batchno.20251129 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS221526-72-3
- Purity/Analytical Methods: >99.0%
221526-72-3 / 5-ethyl-1,3-difluoro-2-[2-[4-(4-propylphenyl)phenyl]ethynyl]benzene
Basic Information
CAS
221526-72-3
Multi CAS
No
Molecular Formula
C25H22F2
Molecular Weight
360.400000
Exact Mass
360.168957
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=C(C=C(C=C3F)CC)F
InChI
InChI=1S/C25H22F2/c1-3-5-19-6-11-21(12-7-19)22-13-8-20(9-14-22)10-15-23-24(26)16-18(4-2)17-25(23)27/h6-9,11-14,16-17H,3-5H2,1-2H3
InChIKey
BUVFXQQCFVZRSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
107.59
TPSA
0.0000
LogP / Solubility
WLOGP
6.55
MLOGP
5.78
XLogP3
7.9
Consensus LogP
6.74
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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