CAS RN: 890042-13-4
4,4,5,5-Tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
- Product code: SSC-200833
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
890042-13-4 / 4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
Basic Information
CAS
890042-13-4
Multi CAS
No
Molecular Formula
BC24H23O2
Molecular Weight
354.300000
Exact Mass
354.179110
InChI
InChI=1S/C24H23BO2/c1-23(2)24(3,4)27-25(26-23)16-13-14-21-19-11-6-5-9-17(19)18-10-7-8-12-20(18)22(21)15-16/h5-15H,1-4H3
InChIKey
VXLBBSLCTFTKOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
114.68
TPSA
18.46
LogP / Solubility
WLOGP
5.45
MLOGP
4.81
XLogP3
5.45
Consensus LogP
5.24
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.6
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)
-1.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1115639-92-3 4,4,5,5-Tetramethyl-2-[3-(triphenylen-2-yl)phenyl]-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3261-jpgcontextbwfzdgvyfhjvb3r8mzywodb8aw1hz2uvanblz3xoodivady2lzg5mzi2njc4odm1ntavvdmynjeuanbnfdmyodrimtjmytg3otzindy5mwrkytexmdzlngyznjayngiwyta3mty2nwyxztrjyjyyzgyxmzc3yjq5ntc0mje.jpeg)
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