![CAS 88283-34-5 2-PYRAZIN-2-YL-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/88283-34-5.gif)
CAS RN: 88283-34-5
2-PYRAZIN-2-YL-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260605 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS88283-34-5
- Purity/Analytical Methods: >99.0%
88283-34-5 / 2-pyrazin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanone
Basic Information
CAS
88283-34-5
Multi CAS
No
Molecular Formula
C13F3H9N2O
Molecular Weight
266.220000
Exact Mass
266.066697
InChI
InChI=1S/C13H9F3N2O/c14-13(15,16)10-3-1-9(2-4-10)12(19)7-11-8-17-5-6-18-11/h1-6,8H,7H2
InChIKey
UFTKWWYMFSUYDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
61.51
TPSA
42.85
LogP / Solubility
WLOGP
2.92
MLOGP
2.58
XLogP3
2
Consensus LogP
2.5
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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