![CAS 1459147-21-7 9,9′-Spirobi[9H-xanthene], 2-bromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1459147-21-7.gif)
CAS RN: 1459147-21-7
9,9′-Spirobi[9H-xanthene], 2-bromo-
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.20260424 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-057076
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 |
1459147-21-7 / 2-bromo-9,9'-spirobi[xanthene]
Basic Information
CAS
1459147-21-7
Multi CAS
No
Molecular Formula
C25H15BrO2
Molecular Weight
427.300000
Exact Mass
426.025540
SMILES
C1=CC=C2C(=C1)C3(C4=CC=CC=C4OC5=CC=CC=C53)C6=C(O2)C=CC(=C6)Br
InChI
InChI=1S/C25H15BrO2/c26-16-13-14-24-20(15-16)25(19-9-3-6-12-23(19)28-24)17-7-1-4-10-21(17)27-22-11-5-2-8-18(22)25/h1-15H
InChIKey
JOPPFBFYCQONHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
H-bond acceptors
2
Molar refractivity
112.6
TPSA
18.46
LogP / Solubility
WLOGP
7.04
MLOGP
6.23
XLogP3
6.9
Consensus LogP
6.72
Log S (ESOL)
-7.56
Class (ESOL)
Insoluble
Log S (Ali)
-8.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
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)
-0.33
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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