CAS RN: 294881-47-3
1-broMo-6-phenyl-Pyrene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260414 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS294881-47-3
- Purity/Analytical Methods: >99.0%
294881-47-3 / 1-bromo-6-phenylpyrene
Basic Information
CAS
294881-47-3
Multi CAS
No
Molecular Formula
C22H13BR
Molecular Weight
357.200000
Exact Mass
356.020060
InChI
InChI=1S/C22H13Br/c23-20-13-9-16-7-11-18-17(14-4-2-1-3-5-14)10-6-15-8-12-19(20)22(16)21(15)18/h1-13H
InChIKey
UHPILNVIPDIPLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
22
Rotatable bonds
1
Molar refractivity
103.28
TPSA
0.0000
LogP / Solubility
WLOGP
7.01
MLOGP
6.19
XLogP3
7.3
Consensus LogP
6.83
Log S (ESOL)
-7.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
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)
0.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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