![CAS 224584-18-3 3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/224584-18-3.gif)
CAS RN: 224584-18-3
3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylicacid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-109692
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, 5g, 10g, 25g, 100g
- Available purity: >95%
- 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 | >95% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 2 In Stock | Beijing | Inquiry |
| 1g | >95% | 2 In Stock | Shanghai | Inquiry |
| 5g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 2 In Stock | Shanghai | Inquiry |
| 25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 100g | >95% | 2 In Stock | Shanghai | Inquiry |
224584-18-3 / 3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Basic Information
CAS
224584-18-3
Multi CAS
No
Molecular Formula
C7H7F3O2
Molecular Weight
180.120000
Exact Mass
180.039814
SMILES
C1C2(CC1(C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H7F3O2/c8-7(9,10)6-1-5(2-6,3-6)4(11)12/h1-3H2,(H,11,12)
InChIKey
CGISBZCYXGUFNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.41
TPSA
37.3
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
1.4
Consensus LogP
1.59
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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