CAS RN: 1298108-45-8
2-bromo-9,9′-spirobi-2′-ol
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.20251030 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-036652
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 | Beijing | Inquiry |
1298108-45-8 / 2'-bromo-9,9'-spirobi[fluorene]-2-ol
Basic Information
CAS
1298108-45-8
Multi CAS
No
Molecular Formula
C25H15BrO
Molecular Weight
411.300000
Exact Mass
410.030630
SMILES
C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=C4C=C(C=C6)Br)C=C(C=C3)O
InChI
InChI=1S/C25H15BrO/c26-15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27)14-24(20)25/h1-14,27H
InChIKey
NKJGSHQFTKKFKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
H-bond acceptors
1
H-bond donors
1
Molar refractivity
112.1
TPSA
20.23
LogP / Solubility
WLOGP
6.5
MLOGP
5.74
XLogP3
6.7
Consensus LogP
6.31
Log S (ESOL)
-7.14
Class (ESOL)
Insoluble
Log S (Ali)
-7.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.73
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)
-0.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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