CAS RN: 1245782-58-4
2-(tert-ButyldiMethylsilyl)-4-Methylthiazole
- Product code: SSC-028520
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 |
1245782-58-4 / tert-butyl-dimethyl-(4-methyl-1,3-thiazol-2-yl)silane
Basic Information
CAS
1245782-58-4
Multi CAS
No
Molecular Formula
C10H19NSSi
Molecular Weight
213.420000
Exact Mass
213.100747
SMILES
CC1=CSC(=N1)[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C10H19NSSi/c1-8-7-12-9(11-8)13(5,6)10(2,3)4/h7H,1-6H3
InChIKey
OHCKALFODDMEQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
63.68
TPSA
12.89
LogP / Solubility
WLOGP
3.17
MLOGP
2.79
XLogP3
3.17
Consensus LogP
3.04
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-1.77
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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