CAS RN: 431-39-0
2,3-Dihydroxy-1,1,1-trifluoropropane, 3,3,3-Trifluoropropylene glycol
- Product code: SSC-151390
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
431-39-0 / 3,3,3-trifluoropropane-1,2-diol
Basic Information
CAS
431-39-0
Multi CAS
No
Molecular Formula
C3F3H5O2
Molecular Weight
130.070000
Exact Mass
130.024164
InChI
InChI=1S/C3H5F3O2/c4-3(5,6)2(8)1-7/h2,7-8H,1H2
InChIKey
QMASYWGIMXQPEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
19.15
TPSA
40.46
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.09
Consensus LogP
-0.06
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
