CAS RN: 99498-65-4
1-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE
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.20260114 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS99498-65-4
- Purity/Analytical Methods: >99.0%
99498-65-4 / 1-phenyl-3-(trifluoromethyl)pyrazole
Basic Information
CAS
99498-65-4
Multi CAS
No
Molecular Formula
C10F3H7N2
Molecular Weight
212.170000
Exact Mass
212.056133
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)9-6-7-15(14-9)8-4-2-1-3-5-8/h1-7H
InChIKey
AKPVEJBNHMWPEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.57
TPSA
17.82
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.8
Consensus LogP
2.75
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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