CAS RN: 396075-91-5
7-(Trifluoromethoxy)-1H-indole
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.20250807 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS396075-91-5
- Purity/Analytical Methods: >99.0%
396075-91-5 / 7-(trifluoromethoxy)-1H-indole
Basic Information
CAS
396075-91-5
Multi CAS
No
Molecular Formula
C9F3H6NO
Molecular Weight
201.140000
Exact Mass
201.040148
InChI
InChI=1S/C9H6F3NO/c10-9(11,12)14-7-3-1-2-6-4-5-13-8(6)7/h1-5,13H
InChIKey
VWWNXBVHASKIKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.98
TPSA
25.02
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
4
Consensus LogP
3.26
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-1.77
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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