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: 0.1g, 1g, 5g, 0.25g, 10g, 25g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 0.1g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥98% | 3 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
168915-00-2 / 4,6-bis(4-fluorophenyl)pyrimidine
Basic Information
CAS
168915-00-2
Multi CAS
No
Molecular Formula
C16H10F2N2
Molecular Weight
268.260000
Exact Mass
268.081205
SMILES
C1=CC(=CC=C1C2=CC(=NC=N2)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C16H10F2N2/c17-13-5-1-11(2-6-13)15-9-16(20-10-19-15)12-3-7-14(18)8-4-12/h1-10H
InChIKey
QHXSHRCALYKRKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
72.82
TPSA
25.78
LogP / Solubility
WLOGP
4.09
MLOGP
3.61
XLogP3
3.7
Consensus LogP
3.8
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
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)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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