CAS RN: 2285-35-0
2-TRIFLUOROMETHYL-9H-CARBAZOLE
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.20260313 | 100mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2285-35-0
- Purity/Analytical Methods: >99.0%
2285-35-0 / 2-(trifluoromethyl)-9H-carbazole
Basic Information
CAS
2285-35-0
Multi CAS
No
Molecular Formula
C13H8F3N
Molecular Weight
235.200000
Exact Mass
235.060884
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C13H8F3N/c14-13(15,16)8-5-6-10-9-3-1-2-4-11(9)17-12(10)7-8/h1-7,17H
InChIKey
HWUDQSLQFQHKSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.08
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.81
TPSA
15.79
LogP / Solubility
WLOGP
4.34
MLOGP
3.82
XLogP3
4.6
Consensus LogP
4.25
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07
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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