CAS RN: 618091-00-2
5-(TRIFLUOROMETHYL)-1-O-TOLYL-1H-PYRAZOLE-4-CARBOHYDRAZIDE
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.20250207 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS618091-00-2
- Purity/Analytical Methods: >99.0%
618091-00-2 / 1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
Basic Information
CAS
618091-00-2
Multi CAS
No
Molecular Formula
C12F3H11N4O
Molecular Weight
284.240000
Exact Mass
284.088495
InChI
InChI=1S/C12H11F3N4O/c1-7-4-2-3-5-9(7)19-10(12(13,14)15)8(6-17-19)11(20)18-16/h2-6H,16H2,1H3,(H,18,20)
InChIKey
INEWEBSCNQRRKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.96
TPSA
72.94
LogP / Solubility
WLOGP
1.8
MLOGP
1.6
XLogP3
1.7
Consensus LogP
1.7
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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