CAS RN: 1269151-92-9
3-(Trifluoromethyl)Oxolan-3-Ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251004 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1269151-92-9
- Purity/Analytical Methods: >99.0%
1269151-92-9 / 3-(trifluoromethyl)oxolan-3-ol
Basic Information
CAS
1269151-92-9
Multi CAS
No
Molecular Formula
C5H7F3O2
Molecular Weight
156.100000
Exact Mass
156.039814
SMILES
C1COCC1(C(F)(F)F)O
InChI
InChI=1S/C5H7F3O2/c6-5(7,8)4(9)1-2-10-3-4/h9H,1-3H2
InChIKey
NVLSAHOBEPICNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.44
TPSA
29.46
LogP / Solubility
WLOGP
0.7
MLOGP
0.61
XLogP3
0.5
Consensus LogP
0.6
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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