CAS RN: 400607-31-0
9,9-Diphenylfluorene-2-boronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
8 package records3 with current stock2 grade groups
- Product code: SSC-147944
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
400607-31-0 / (9,9-diphenylfluoren-2-yl)boronic acid
Basic Information
CAS
400607-31-0
Multi CAS
No
Molecular Formula
BC25H19O2
Molecular Weight
362.200000
Exact Mass
362.147810
InChI
InChI=1S/C25H19BO2/c27-26(28)20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,27-28H
InChIKey
CPFALCJMNUHBHP-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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![CAS 236389-21-2 9,9′-Spirobi[9H-fluorene]-2-boronic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/s0831-jpgcontextbwfzdgvyfhjvb3r8nde1oth8aw1hz2uvanblz3xozdavagi5lzg5mziyntgxnti0nzgvuza4mzeuanbnfdkxngvkytczyje0ymeymze4ntkynjhky2ezngnjngvlztgxodazotc3mtnmnzcznzbiogfhotu2zwyzngyyowy.jpeg)
