CAS RN: 371193-08-7
9,9-Dihexylfluorene-2-boronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: SSC-144455
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 | Shanghai | Inquiry |
371193-08-7 / (9,9-dihexylfluoren-2-yl)boronic acid
Basic Information
CAS
371193-08-7
Multi CAS
No
Molecular Formula
BC25H35O2
Molecular Weight
378.400000
Exact Mass
378.273011
InChI
InChI=1S/C25H35BO2/c1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26(27)28)19-24(22)25/h9-10,13-16,19,27-28H,3-8,11-12,17-18H2,1-2H3
InChIKey
WWASBXIXSWJVJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
2
Molar refractivity
120
TPSA
40.46
LogP / Solubility
WLOGP
5.57
MLOGP
4.93
XLogP3
5.57
Consensus LogP
5.36
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
Class (SILICOS-IT)
Insoluble
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)
-1.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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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)
