![CAS 1421789-05-0 9,9′-Spirobi[9H-fluorene]-4-ylboronicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1421789-05-0.gif)
CAS RN: 1421789-05-0
9,9′-Spirobi[9H-fluorene]-4-ylboronicacid
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.20250719 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-052945
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 | Shanghai | Inquiry |
1421789-05-0 / 9,9'-spirobi[fluorene]-4'-ylboronic acid
Basic Information
CAS
1421789-05-0
Multi CAS
No
Molecular Formula
C25H17BO2
Molecular Weight
360.200000
Exact Mass
360.132160
SMILES
B(C1=C2C3=CC=CC=C3C4(C2=CC=C1)C5=CC=CC=C5C6=CC=CC=C46)(O)O
InChI
InChI=1S/C25H17BO2/c27-26(28)23-15-7-14-22-24(23)18-10-3-6-13-21(18)25(22)19-11-4-1-8-16(19)17-9-2-5-12-20(17)25/h1-15,27-28H
InChIKey
NOTKALFQBCUAKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
112.57
TPSA
40.46
LogP / Solubility
WLOGP
3.71
MLOGP
3.28
XLogP3
3.71
Consensus LogP
3.57
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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