CAS RN: 256372-58-4
(S)-2-((4-(TRIFLUOROMETHYL)PHENOXY)METHYL)OXIRANE
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.20251221 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS256372-58-4
- Purity/Analytical Methods: >99.0%
256372-58-4 / 2-[[4-(trifluoromethyl)phenoxy]methyl]oxirane
Basic Information
CAS
256372-58-4
Multi CAS
No
Molecular Formula
C10H9F3O2
Molecular Weight
218.170000
Exact Mass
218.055464
SMILES
C1C(O1)COC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H9F3O2/c11-10(12,13)7-1-3-8(4-2-7)14-5-9-6-15-9/h1-4,9H,5-6H2/t9-/m1/s1
InChIKey
GYOFXQNABVOHIB-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
46.68
TPSA
21.76
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.5
Consensus LogP
2.39
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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