Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 1 In Stock | Beijing | Inquiry |
| 1g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | -- | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | -- | 1 In Stock | Shanghai | Inquiry |
| 10g | >95% | 1 In Stock | Shanghai | Inquiry |
| 25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
345-71-1 / (3-fluorophenyl)-(4-fluorophenyl)methanone
Basic Information
CAS
345-71-1
Multi CAS
Yes
Molecular Formula
C13F2H8O
Molecular Weight
218.200000
Exact Mass
218.054321
InChI
InChI=1S/C13H8F2O/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8H
InChIKey
ZHUXSAKDWNNBCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
56.23
TPSA
17.07
LogP / Solubility
WLOGP
3.2
MLOGP
2.81
XLogP3
3.5
Consensus LogP
3.17
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly 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)
-1.78
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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