CAS RN: 410086-28-1
7-(trifluoroMethyl)isoquinolin-1(2H)-one
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.20251025 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS410086-28-1
- Purity/Analytical Methods: >99.0%
410086-28-1 / 7-(trifluoromethyl)-2H-isoquinolin-1-one
Basic Information
CAS
410086-28-1
Multi CAS
Yes
Molecular Formula
C10F3H6NO
Molecular Weight
213.160000
Exact Mass
213.040148
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)7-2-1-6-3-4-14-9(15)8(6)5-7/h1-5H,(H,14,15)
InChIKey
BTXOPRIQIDKOLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.57
TPSA
32.86
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
2.2
Consensus LogP
2.33
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.21
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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