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CAS RN: 1429913-32-5
3-Methyl-5-(trimethylsilyl)isoxazole-4-boronic Acid Pinacol Ester
- Product code: SSC-054301
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 | Shenzhen | Inquiry |
1429913-32-5 / trimethyl-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazol-5-yl]silane
Basic Information
CAS
1429913-32-5
Multi CAS
No
Molecular Formula
C13H24BNO3Si
Molecular Weight
281.230000
Exact Mass
281.161850
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2C)[Si](C)(C)C
InChI
InChI=1S/C13H24BNO3Si/c1-9-10(11(16-15-9)19(6,7)8)14-17-12(2,3)13(4,5)18-14/h1-8H3
InChIKey
FEKWCCAGDIHLNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
79.94
TPSA
44.49
LogP / Solubility
WLOGP
1.83
MLOGP
1.62
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1429933-33-4 2-bromo-7-iodo-9,9′-spirobi[fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429933-33-4.gif)
![CAS 1429939-31-0 (-)-1,13-Bis[di(3,5-diMethylphenyl)phosphino]-(5aS,8aS,14aS)-5a,6,7,8,8a,9-hexahydro-5H-[1]benzopyrano[3,2-d]xanthene, 97% (S,S,S)-(-)-Xyl-SKP molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429939-31-0.gif)
![CAS 1429939-32-1 (+)-1,13-Bis[di(4-Methylphenyl)phosphino]-(5aR,8aR,14aR)-5a,6,7,8,8a,9-hexahydro-5H-[1]benzopyrano[3,2-d]xanthene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429939-32-1.gif)
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