CAS RN: 188200-93-3
2,7-Dibromo-9,9-bis(2-ethylhexyl)fluorene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250304 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-087549
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
188200-93-3 / 2,7-dibromo-9,9-bis(2-ethylhexyl)fluorene
Basic Information
CAS
188200-93-3
Multi CAS
No
Molecular Formula
C29H40Br2
Molecular Weight
548.400000
Exact Mass
548.147630
SMILES
CCCCC(CC)CC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)CC(CC)CCCC
InChI
InChI=1S/C29H40Br2/c1-5-9-11-21(7-3)19-29(20-22(8-4)12-10-6-2)27-17-23(30)13-15-25(27)26-16-14-24(31)18-28(26)29/h13-18,21-22H,5-12,19-20H2,1-4H3
InChIKey
WSBUZOZAKDVRTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
12
Molar refractivity
143.9
TPSA
0.0000
LogP / Solubility
WLOGP
10.69
MLOGP
9.45
XLogP3
12.8
Consensus LogP
10.98
Log S (ESOL)
-9.47
Class (ESOL)
Insoluble
Log S (Ali)
-11.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.54
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)
1.53
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3.5
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