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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: 97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 0.25g | 97% | 1 In Stock | Shanghai | Inquiry |
| 1g | 97% | 0 Out of Stock | Beijing | Inquiry |
| 5g | 97% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | 97% | 0 Out of Stock | Beijing | Inquiry |
| 25g | 97% | 0 Out of Stock | Shanghai | Inquiry |
684-07-1 / 3,3,3-trifluoro-2-hydroxypropanoic acid
Basic Information
CAS
684-07-1
Multi CAS
Yes
Molecular Formula
C3F3H3O3
Molecular Weight
144.050000
Exact Mass
144.003428
InChI
InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)
InChIKey
BVKGUTLIPHZYCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
19.7
TPSA
57.53
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.01
XLogP3
0.3
Consensus LogP
0.09
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very 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)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
N-hydroxyisobutyrimidoyl chloride
- CAS RN: 684-88-8
- Product Code: starshine_CAS684-88-8
- Purity/Analytical method: >99.0%
-
-
-
-
