CAS RN: 286438-45-7
2,7-Dibromo-9,9-didodecylfluorene
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250512 | 100g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260331 | 10g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250815 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250402 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250218 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250128 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-130141
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: 100g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
286438-45-7 / 2,7-dibromo-9,9-didodecylfluorene
Basic Information
CAS
286438-45-7
Multi CAS
No
Molecular Formula
C37H56Br2
Molecular Weight
660.600000
Exact Mass
660.272830
SMILES
CCCCCCCCCCCCC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)CCCCCCCCCCCC
InChI
InChI=1S/C37H56Br2/c1-3-5-7-9-11-13-15-17-19-21-27-37(28-22-20-18-16-14-12-10-8-6-4-2)35-29-31(38)23-25-33(35)34-26-24-32(39)30-36(34)37/h23-26,29-30H,3-22,27-28H2,1-2H3
InChIKey
KFOUJVGPGBSIFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.68
Rotatable bonds
22
Molar refractivity
180.98
TPSA
0.0000
LogP / Solubility
WLOGP
14.1
MLOGP
12.46
XLogP3
17.7
Consensus LogP
14.75
Log S (ESOL)
-11.59
Class (ESOL)
Insoluble
Log S (Ali)
-15.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.26
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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