CAS RN: 607740-08-9
4-(3,5-Dibromophenyl)-2,6-diphenylpyrimidine
- Product code: SSC-169433
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
607740-08-9 / 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine
Basic Information
CAS
607740-08-9
Multi CAS
No
Molecular Formula
C22H14BR2N2
Molecular Weight
466.200000
Exact Mass
465.950320
InChI
InChI=1S/C22H14Br2N2/c23-18-11-17(12-19(24)13-18)21-14-20(15-7-3-1-4-8-15)25-22(26-21)16-9-5-2-6-10-16/h1-14H
InChIKey
DLXBSWIBLRUGFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
113.74
TPSA
25.78
LogP / Solubility
WLOGP
7
MLOGP
6.19
XLogP3
6.6
Consensus LogP
6.6
Log S (ESOL)
-7.63
Class (ESOL)
Insoluble
Log S (Ali)
-8.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.86
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)
-0.59
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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