![CAS 2259843-44-0 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9′-xanthene]-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2259843-44-0.gif)
CAS RN: 2259843-44-0
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9′-xanthene]-2-carbonitrile
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.20250801 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-110420
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2259843-44-0 / 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9'-xanthene]-2-carbonitrile
Basic Information
CAS
2259843-44-0
Multi CAS
No
Molecular Formula
C32H26BNO3
Molecular Weight
483.400000
Exact Mass
483.200574
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C35C6=CC=CC=C6OC7=CC=CC=C57)C=C(C=C4)C#N
InChI
InChI=1S/C32H26BNO3/c1-30(2)31(3,4)37-33(36-30)21-14-16-23-22-15-13-20(19-34)17-26(22)32(27(23)18-21)24-9-5-7-11-28(24)35-29-12-8-6-10-25(29)32/h5-18H,1-4H3
InChIKey
JXCWKYFCRGWUJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
144.25
TPSA
51.48
LogP / Solubility
WLOGP
6.33
MLOGP
5.6
XLogP3
6.33
Consensus LogP
6.09
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-8.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.17
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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