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, 0.25g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 2
- 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 | Beijing | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >95% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
407-62-5 / 5,5,5-trifluoropentanoic acid
Basic Information
CAS
407-62-5
Multi CAS
No
Molecular Formula
C5F3H7O2
Molecular Weight
156.100000
Exact Mass
156.039814
InChI
InChI=1S/C5H7F3O2/c6-5(7,8)3-1-2-4(9)10/h1-3H2,(H,9,10)
InChIKey
RUEXKRNFAABHHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.54
TPSA
37.3
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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6-(N-TRIFLUOROACETYL)AMINOCAPROIC ACID
- CAS RN: 407-91-0
- Product Code: starshine_CAS407-91-0
- Purity/Analytical method: >99.0%
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