CAS RN: 77294-82-7
2′-FLUORO-2-PHENYLACETOPHENONE
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.20250102 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS77294-82-7
- Purity/Analytical Methods: >99.0%
77294-82-7 / 2-fluoro-1,2-diphenylethanone
Basic Information
CAS
77294-82-7
Multi CAS
Yes
Molecular Formula
C14FH11O
Molecular Weight
214.230000
Exact Mass
214.079393
InChI
InChI=1S/C14H11FO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
ZAKNRBRFLQSIBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
61.06
TPSA
17.07
LogP / Solubility
WLOGP
3.58
MLOGP
3.15
XLogP3
3.2
Consensus LogP
3.31
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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