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: 0.1g, 0.25g, 1g, 10g, 25g, 100g, 5g
- Available purity: >97%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 5 In Stock | Shanghai | Inquiry |
| 100g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 1 In Stock | Beijing | Inquiry |
53841-60-4 / 1,1,3,3,3-pentafluoroprop-1-en-2-yl benzoate
Basic Information
CAS
53841-60-4
Multi CAS
Yes
Molecular Formula
C10F5H5O2
Molecular Weight
252.140000
Exact Mass
252.020970
InChI
InChI=1S/C10H5F5O2/c11-8(12)7(10(13,14)15)17-9(16)6-4-2-1-3-5-6/h1-5H
InChIKey
TYASJMIZETTWMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.15
TPSA
26.3
LogP / Solubility
WLOGP
3.51
MLOGP
3.1
XLogP3
3.2
Consensus LogP
3.27
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-1.76
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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