![CAS 954274-26-1 amino[3-(trifluoromethyl)phenyl]acetonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/954274-26-1.png)
CAS RN: 954274-26-1
amino[3-(trifluoromethyl)phenyl]acetonitrile
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA926931
954274-26-1 / 2-amino-2-[3-(trifluoromethyl)phenyl]acetonitrile
Basic Information
CAS
954274-26-1
Multi CAS
No
Molecular Formula
C9F3H7N2
Molecular Weight
200.160000
Exact Mass
200.056133
InChI
InChI=1S/C9H7F3N2/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8H,14H2
InChIKey
FHVQEYWIQPXYAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.99
TPSA
49.81
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
1.7
Consensus LogP
1.96
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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