CAS RN: 136118-56-4
1-((2-(Trimethylsilyl)Ethoxy)Methyl)-1H-1,2,4-Triazole
- Product code: SSC-045005
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 | Shanghai | Inquiry |
136118-56-4 / trimethyl-[2-(1,2,4-triazol-1-ylmethoxy)ethyl]silane
Basic Information
CAS
136118-56-4
Multi CAS
No
Molecular Formula
C8H17N3OSi
Molecular Weight
199.330000
Exact Mass
199.114089
SMILES
C[Si](C)(C)CCOCN1C=NC=N1
InChI
InChI=1S/C8H17N3OSi/c1-13(2,3)5-4-12-8-11-7-9-6-10-11/h6-7H,4-5,8H2,1-3H3
InChIKey
DHWQQVXDRKXOCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
54.13
TPSA
39.94
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.59
Consensus LogP
1.53
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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