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, 25g, 1g, 100g
- Available purity: ≥97%
- 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 | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
67515-60-0 / 4-fluoro-3-(trifluoromethyl)benzaldehyde
Basic Information
CAS
67515-60-0
Multi CAS
Yes
Molecular Formula
C8F4H4O
Molecular Weight
192.110000
Exact Mass
192.019827
InChI
InChI=1S/C8H4F4O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H
InChIKey
BIUDHHGROGJSHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.79
TPSA
17.07
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
2.4
Consensus LogP
2.47
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-2.01
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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- CAS RN: 825644-26-6
- Product Code: SSC-190667
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