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: 25g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
757-95-9 / 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
Basic Information
CAS
757-95-9
Multi CAS
No
Molecular Formula
C5F6H7O3P
Molecular Weight
260.070000
Exact Mass
260.003700
InChI
InChI=1S/C5H7F6O3P/c1-15(12,13-2-4(6,7)8)14-3-5(9,10)11/h2-3H2,1H3
InChIKey
YIUFTMLPQFZEFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
37.54
TPSA
35.53
LogP / Solubility
WLOGP
2.97
MLOGP
2.62
XLogP3
1.7
Consensus LogP
2.43
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly 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)
-2.2
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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ETHYLDIMETHYLSILANE
- CAS RN: 758-21-4
- Product Code: starshine_CAS758-21-4
- Purity/Analytical method: >99.0%
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