CAS RN: 1445700-01-5
TFMB-(R)-2-HG
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260614 | 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1445700-01-5
- Purity/Analytical Methods: >99.0%
1445700-01-5 / [3-(trifluoromethyl)phenyl]methyl (2R)-5-oxooxolane-2-carboxylate
Basic Information
CAS
1445700-01-5
Multi CAS
No
Molecular Formula
C13H11F3O4
Molecular Weight
288.220000
Exact Mass
288.060943
SMILES
C1CC(=O)O[C@H]1C(=O)OCC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C13H11F3O4/c14-13(15,16)9-3-1-2-8(6-9)7-19-12(18)10-4-5-11(17)20-10/h1-3,6,10H,4-5,7H2/t10-/m1/s1
InChIKey
UXTLNUGKDZMPTC-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
60.35
TPSA
52.6
LogP / Solubility
WLOGP
2.45
MLOGP
2.17
XLogP3
2.5
Consensus LogP
2.37
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly 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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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