![CAS 221526-78-9 1,1′-Biphenyl, 4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-4′-ethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221526-78-9.gif)
CAS RN: 221526-78-9
1,1′-Biphenyl, 4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-4′-ethyl-
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: starshine_CAS221526-78-9
- Purity/Analytical Methods: >99.0%
221526-78-9 / 2-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-1,3-difluoro-5-propylbenzene
Basic Information
CAS
221526-78-9
Multi CAS
No
Molecular Formula
C25H22F2
Molecular Weight
360.400000
Exact Mass
360.168957
SMILES
CCCC1=CC(=C(C(=C1)F)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)CC)F
InChI
InChI=1S/C25H22F2/c1-3-5-20-16-24(26)23(25(27)17-20)15-10-19-8-13-22(14-9-19)21-11-6-18(4-2)7-12-21/h6-9,11-14,16-17H,3-5H2,1-2H3
InChIKey
MIFPQODJIPUOSR-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
Customers Also Viewed
-
![CAS 221526-79-0 1,1′-Biphenyl, 4-[2-(4-butyl-2,6-difluorophenyl)ethynyl]-4′-propyl- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,1′-Biphenyl, 4-[2-(4-butyl-2,6-difluorophenyl)ethynyl]-4′-propyl-
- CAS RN: 221526-79-0
- Product Code: starshine_CAS221526-79-0
- Purity/Analytical method: >99.0%
-
1,1′-BIPHENYL, 4-BUTYL-4′-[(4-BUTYL-2,6-DIFLUOROPHENYL)ETHYNYL]-
- CAS RN: 221526-80-3
- Product Code: starshine_CAS221526-80-3
- Purity/Analytical method: >99.0%
-
4,5-DIHYDRO-N-[4-[[4-(1-METHYLETHOXY)PHENYL]METHYL]PHENYL]-1H-IMIDAZOL-2-AMINE
- CAS RN: 221529-58-4
- Product Code: starshine_CAS221529-58-4
- Purity/Analytical method: >99.0%
-
-
-
![CAS 221526-79-0 1,1′-Biphenyl, 4-[2-(4-butyl-2,6-difluorophenyl)ethynyl]-4′-propyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221526-79-0.gif)
![CAS 221526-80-3 1,1′-BIPHENYL, 4-BUTYL-4′-[(4-BUTYL-2,6-DIFLUOROPHENYL)ETHYNYL]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221526-80-3.gif)
![CAS 221529-58-4 4,5-DIHYDRO-N-[4-[[4-(1-METHYLETHOXY)PHENYL]METHYL]PHENYL]-1H-IMIDAZOL-2-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221529-58-4.gif)
