![CAS 709667-96-9 1-(3′-TRIFLUOROMETHYL[1,1′-BIPHENYL]-4-YL)-ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB9372166.gif)
CAS RN: 709667-96-9
1-(3′-TRIFLUOROMETHYL[1,1′-BIPHENYL]-4-YL)-ETHANONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250130 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS709667-96-9
- Purity/Analytical Methods: >99.0%
709667-96-9 / 1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
Basic Information
CAS
709667-96-9
Multi CAS
No
Molecular Formula
C15F3H11O
Molecular Weight
264.240000
Exact Mass
264.076199
InChI
InChI=1S/C15H11F3O/c1-10(19)11-5-7-12(8-6-11)13-3-2-4-14(9-13)15(16,17)18/h2-9H,1H3
InChIKey
OLPGMSBHVQSWJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
66.88
TPSA
17.07
LogP / Solubility
WLOGP
4.58
MLOGP
4.03
XLogP3
4.1
Consensus LogP
4.24
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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)
-1.08
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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