![CAS 1346002-88-7 2′,7′-dibromospiro[fluorene-9,9′-xanthene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346002-88-7.gif)
CAS RN: 1346002-88-7
2′,7′-dibromospiro[fluorene-9,9′-xanthene]
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.20250830 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-042446
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 | Hong Kong | Inquiry |
1346002-88-7 / 2',7'-dibromospiro[fluorene-9,9'-xanthene]
Basic Information
CAS
1346002-88-7
Multi CAS
No
Molecular Formula
C25H14Br2O
Molecular Weight
490.200000
Exact Mass
489.939090
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=CC(=C5)Br)OC6=C4C=C(C=C6)Br
InChI
InChI=1S/C25H14Br2O/c26-15-9-11-23-21(13-15)25(22-14-16(27)10-12-24(22)28-23)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H
InChIKey
PJLHVYGIYQIGDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
H-bond acceptors
1
Molar refractivity
119.22
TPSA
9.23
LogP / Solubility
WLOGP
7.68
MLOGP
6.79
XLogP3
7.7
Consensus LogP
7.39
Log S (ESOL)
-8.35
Class (ESOL)
Insoluble
Log S (Ali)
-9.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.22
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)
-0.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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