CAS RN: 944905-38-8
5-(trifluoroMethyl)pyriMidine-2-carbonitrile
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.20260331 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS944905-38-8
- Purity/Analytical Methods: >99.0%
944905-38-8 / 5-(trifluoromethyl)pyrimidine-2-carbonitrile
Basic Information
CAS
944905-38-8
Multi CAS
No
Molecular Formula
C6F3H2N3
Molecular Weight
173.100000
Exact Mass
173.020082
InChI
InChI=1S/C6H2F3N3/c7-6(8,9)4-2-11-5(1-10)12-3-4/h2-3H
InChIKey
HMSRHSYEIUAFMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
Molar refractivity
31.75
TPSA
49.57
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
1.1
Consensus LogP
1.22
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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