CAS RN: 17129-06-5
4-Ethoxy-1,1,1-trifluoro-3-buten-2-one
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250420 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong, Shanghai, Guangdong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250211 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: SSC-075450
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: 5g, 10g, 1g, 25g, 100g, 500g
- Available purity: Tech. 90%
- 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 |
|---|---|---|---|---|
| 5g | Tech. 90% | 5 In Stock | Shenzhen | Inquiry |
| 10g | Tech. 90% | 3 In Stock | Shenzhen | Inquiry |
| 1g | Tech. 90% | 2 In Stock | Shenzhen | Inquiry |
| 25g | Tech. 90% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | Tech. 90% | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | Tech. 90% | 0 Out of Stock | Shanghai | Inquiry |
17129-06-5 / 4-ethoxy-1,1,1-trifluorobut-3-en-2-one
Basic Information
CAS
17129-06-5
Multi CAS
No
Molecular Formula
C6H7F3O2
Molecular Weight
168.110000
Exact Mass
168.039814
SMILES
CCOC=CC(=O)C(F)(F)F
InChI
InChI=1S/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3
InChIKey
YKYIFUROKBDHCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
31.83
TPSA
26.3
LogP / Solubility
WLOGP
1.67
MLOGP
1.46
XLogP3
1.6
Consensus LogP
1.58
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.56
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
Safety & Transport
Pictogram(s)
Flammable
Corrosive
Acute Toxic
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H302 (41.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (37.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H317 (45.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (37.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501
