CAS RN: 1621397-55-4
3′-BrSFX
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.20260110 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-069676
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 | Shanghai | Inquiry |
1621397-55-4 / 3'-bromospiro[fluorene-9,9'-xanthene]
Basic Information
CAS
1621397-55-4
Multi CAS
No
Molecular Formula
C25H15BrO
Molecular Weight
411.300000
Exact Mass
410.030630
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=C(C=C5)Br)OC6=CC=CC=C46
InChI
InChI=1S/C25H15BrO/c26-16-13-14-22-24(15-16)27-23-12-6-5-11-21(23)25(22)19-9-3-1-7-17(19)18-8-2-4-10-20(18)25/h1-15H
InChIKey
UBZULIKBHMSKKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
H-bond acceptors
1
Molar refractivity
111.52
TPSA
9.23
LogP / Solubility
WLOGP
6.92
MLOGP
6.11
XLogP3
7
Consensus LogP
6.68
Log S (ESOL)
-7.41
Class (ESOL)
Insoluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
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)
-0.32
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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