CAS RN: 3794-15-8
2-FLUORODIPHENYLMETHANE
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.20260528 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3794-15-8
- Purity/Analytical Methods: >99.0%
3794-15-8 / 1-benzyl-2-fluorobenzene
Basic Information
CAS
3794-15-8
Multi CAS
No
Molecular Formula
C13FH11
Molecular Weight
186.220000
Exact Mass
186.084479
InChI
InChI=1S/C13H11F/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
YWWVDXKZLGXVHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
55.65
TPSA
0.0000
LogP / Solubility
WLOGP
3.42
MLOGP
3
XLogP3
3.9
Consensus LogP
3.44
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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