CAS RN: 1242140-69-7
2-amino-6-(trifluoromethyl)-1H-indole-3-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.20260329 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1242140-69-7
- Purity/Analytical Methods: >99.0%
1242140-69-7 / 2-amino-6-(trifluoromethyl)-1H-indole-3-carbonitrile
Basic Information
CAS
1242140-69-7
Multi CAS
No
Molecular Formula
C10H6F3N3
Molecular Weight
225.170000
Exact Mass
225.051382
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=C2C#N)N
InChI
InChI=1S/C10H6F3N3/c11-10(12,13)5-1-2-6-7(4-14)9(15)16-8(6)3-5/h1-3,16H,15H2
InChIKey
WSFHCSNWDDOWQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.43
TPSA
65.6
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
2.9
Consensus LogP
2.62
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.22
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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