![CAS 2396648-06-7 Boronic acid, B-spiro[9H-fluorene-9,9′-[9H]xanthen]-2′-yl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2396648-06-7.gif)
CAS RN: 2396648-06-7
Boronic acid, B-spiro[9H-fluorene-9,9′-[9H]xanthen]-2′-yl-
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.20250405 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-116937
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 | Shenzhen | Inquiry |
2396648-06-7 / spiro[fluorene-9,9'-xanthene]-2'-ylboronic acid
Basic Information
CAS
2396648-06-7
Multi CAS
No
Molecular Formula
C25H17BO3
Molecular Weight
376.200000
Exact Mass
376.127075
SMILES
B(C1=CC2=C(C=C1)OC3=CC=CC=C3C24C5=CC=CC=C5C6=CC=CC=C46)(O)O
InChI
InChI=1S/C25H17BO3/c27-26(28)16-13-14-24-22(15-16)25(21-11-5-6-12-23(21)29-24)19-9-3-1-7-17(19)18-8-2-4-10-20(18)25/h1-15,27-28H
InChIKey
XWJYQPFDUBPRKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
113.65
TPSA
49.69
LogP / Solubility
WLOGP
3.84
MLOGP
3.4
XLogP3
3.84
Consensus LogP
3.69
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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)
-2.29
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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