Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
864377-28-6 / 4-(3-bromophenyl)-2,6-diphenylpyrimidine
Basic Information
CAS
864377-28-6
Multi CAS
No
Molecular Formula
BC22H15Rn2
Molecular Weight
387.300000
Exact Mass
386.041860
InChI
InChI=1S/C22H15BrN2/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17/h1-15H
InChIKey
BPMSGKUGXMWVBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
106.04
TPSA
25.78
LogP / Solubility
WLOGP
6.24
MLOGP
5.51
XLogP3
5.9
Consensus LogP
5.88
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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4-(Biphenyl-4-yl)-6-(4-bromophenyl)-2-phenylpyrimidine
- CAS RN: 1421599-34-9
- Product Code: SSC-052900
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