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, 25g, 100g, 500g
- 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% | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
| 25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | >95% | 0 Out of Stock | Beijing | Inquiry |
| 500g | >95% | 0 Out of Stock | Shanghai | Inquiry |
5272-36-6 / 3-trimethylsilylprop-2-yn-1-ol
Basic Information
CAS
5272-36-6
Multi CAS
Yes
Molecular Formula
C6H12OSi
Molecular Weight
128.240000
Exact Mass
128.065742
InChI
InChI=1S/C6H12OSi/c1-8(2,3)6-4-5-7/h7H,5H2,1-3H3
InChIKey
ZVGCJDPEKKEYES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.21
TPSA
20.23
LogP / Solubility
WLOGP
0.86
MLOGP
0.75
XLogP3
0.86
Consensus LogP
0.82
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-2.89
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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Trimethylsilylcyclopentadiene (mixture of isomers)
- CAS RN: 25134-15-0
- Product Code: SSC-120729
