![CAS 2791277-41-1 1,3,2-Dioxaborolane, 2-[7-fluoro-8-[2-[tris(1-methylethyl)sily/]ethynyI]-3-[[tris(1-methylethyl)silyI]oxy]-1-naphthalenyI]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2791277-41-1.gif)
CAS RN: 2791277-41-1
1,3,2-Dioxaborolane, 2-[7-fluoro-8-[2-[tris(1-methylethyl)sily/]ethynyI]-3-[[tris(1-methylethyl)silyI]oxy]-1-naphthalenyI]-4,4,5,5-tetramethyl-
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.20250306 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-128362
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, 5g, 10g
- 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.
2791277-41-1 / [6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane
Basic Information
CAS
2791277-41-1
Multi CAS
No
Molecular Formula
C36H58BFO3Si2
Molecular Weight
624.800000
Exact Mass
624.400157
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC3=C2C(=C(C=C3)F)C#C[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C36H58BFO3Si2/c1-23(2)42(24(3)4,25(5)6)20-19-31-33(38)18-17-29-21-30(39-43(26(7)8,27(9)10)28(11)12)22-32(34(29)31)37-40-35(13,14)36(15,16)41-37/h17-18,21-28H,1-16H3
InChIKey
HIVPJIJHSGJJTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
189.22
TPSA
27.69
LogP / Solubility
WLOGP
10.4
MLOGP
9.2
XLogP3
10.4
Consensus LogP
10
Log S (ESOL)
-9.85
Class (ESOL)
Insoluble
Log S (Ali)
-12.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.85
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 2803456-23-5 2,2′,2”,2”’,2””,2””’,2”””,2”””’-((Ethene-1,1,2,2-tetrayltetrakis(benzene-4,1-diyl))tetrakis([1,1′:3′,1”-terphenyl]-5′,4,4”-triyl))octaacetonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2803456-23-5.gif)
