![CAS 159590-01-9 1H-IMidazole, 2,4,5-tribroMo-1-[[2-(triMethylsilyl)ethoxy]Methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/159590-01-9.gif)
CAS RN: 159590-01-9
1H-IMidazole, 2,4,5-tribroMo-1-[[2-(triMethylsilyl)ethoxy]Methyl]-
- Product code: SSC-067552
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: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
159590-01-9 / trimethyl-[2-[(2,4,5-tribromoimidazol-1-yl)methoxy]ethyl]silane
Basic Information
CAS
159590-01-9
Multi CAS
No
Molecular Formula
C9H15Br3N2OSi
Molecular Weight
435.030000
Exact Mass
433.848330
SMILES
C[Si](C)(C)CCOCN1C(=C(N=C1Br)Br)Br
InChI
InChI=1S/C9H15Br3N2OSi/c1-16(2,3)5-4-15-6-14-8(11)7(10)13-9(14)12/h4-6H2,1-3H3
InChIKey
PWLROCHXTREGKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
79.43
TPSA
27.05
LogP / Solubility
WLOGP
4.48
MLOGP
3.97
XLogP3
4.48
Consensus LogP
4.31
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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