CAS RN: 332083-45-1
9,10-Dibromo-2,6-di-tert-butylanthracene
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.20250824 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-139179
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
332083-45-1 / 9,10-dibromo-2,6-ditert-butylanthracene
Basic Information
CAS
332083-45-1
Multi CAS
No
Molecular Formula
C22H24BR2
Molecular Weight
448.200000
Exact Mass
448.022430
InChI
InChI=1S/C22H24Br2/c1-21(2,3)13-7-9-15-17(11-13)19(23)16-10-8-14(22(4,5)6)12-18(16)20(15)24/h7-12H,1-6H3
InChIKey
BRCYXSYTGVAPBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.36
Rotatable bonds
2
Molar refractivity
114.25
TPSA
0.0000
LogP / Solubility
WLOGP
8.11
MLOGP
7.17
XLogP3
9.1
Consensus LogP
8.13
Log S (ESOL)
-8.16
Class (ESOL)
Insoluble
Log S (Ali)
-9.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.31
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)
0.31
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
2.5
