![CAS 2503307-87-5 1,3,2-Dioxaborolane, 2-[7-fluoro-8-[2-[tris(1-methylethyl)silyl]ethynyl]-1-naphthalenyl]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2503307-87-5.gif)
CAS RN: 2503307-87-5
1,3,2-Dioxaborolane, 2-[7-fluoro-8-[2-[tris(1-methylethyl)silyl]ethynyl]-1-naphthalenyl]-4,4,5,5-tetramethyl-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-120493
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, 0.1g, 0.25g, 25g
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | >95% | 0 Out of Stock | Shanghai | Inquiry |
2503307-87-5 / 2-[2-fluoro-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
Basic Information
CAS
2503307-87-5
Multi CAS
No
Molecular Formula
C27H38BFO2Si
Molecular Weight
452.500000
Exact Mass
452.271815
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=CC(=C3C#C[Si](C(C)C)(C(C)C)C(C)C)F
InChI
InChI=1S/C27H38BFO2Si/c1-18(2)32(19(3)4,20(5)6)17-16-22-24(29)15-14-21-12-11-13-23(25(21)22)28-30-26(7,8)27(9,10)31-28/h11-15,18-20H,1-10H3
InChIKey
DGKFALHOXXLEEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
10
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
137.55
TPSA
18.46
LogP / Solubility
WLOGP
6.85
MLOGP
6.06
XLogP3
6.85
Consensus LogP
6.59
Log S (ESOL)
-6.93
Class (ESOL)
Insoluble
Log S (Ali)
-8.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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