CAS RN: 400607-16-1
9-(2-Biphenylyl)-10-bromoanthracene
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: SSC-147943
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
400607-16-1 / 9-bromo-10-(2-phenylphenyl)anthracene
Basic Information
CAS
400607-16-1
Multi CAS
No
Molecular Formula
C26H17BR
Molecular Weight
409.300000
Exact Mass
408.051360
InChI
InChI=1S/C26H17Br/c27-26-23-16-8-6-14-21(23)25(22-15-7-9-17-24(22)26)20-13-5-4-12-19(20)18-10-2-1-3-11-18/h1-17H
InChIKey
NANUBXRTTQXXDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
26
Rotatable bonds
2
Molar refractivity
120.03
TPSA
0.0000
LogP / Solubility
WLOGP
8.09
MLOGP
7.14
XLogP3
8.4
Consensus LogP
7.88
Log S (ESOL)
-8.05
Class (ESOL)
Insoluble
Log S (Ali)
-8.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
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)
0.53
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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