CAS RN: 1224976-40-2
9,9-diphenyl-9H-fluoreN-4-ylboronicacid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251207 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-025440
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: 1g, 5g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 1
- 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.
1224976-40-2 / (9,9-diphenylfluoren-4-yl)boronic acid
Basic Information
CAS
1224976-40-2
Multi CAS
No
Molecular Formula
C25H19BO2
Molecular Weight
362.200000
Exact Mass
362.147810
SMILES
B(C1=C2C3=CC=CC=C3C(C2=CC=C1)(C4=CC=CC=C4)C5=CC=CC=C5)(O)O
InChI
InChI=1S/C25H19BO2/c27-26(28)23-17-9-16-22-24(23)20-14-7-8-15-21(20)25(22,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17,27-28H
InChIKey
MLFGWWZGBTYHTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
113.57
TPSA
40.46
LogP / Solubility
WLOGP
3.73
MLOGP
3.3
XLogP3
3.73
Consensus LogP
3.59
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
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
3.5
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