CAS RN: 284027-36-7
8-TrifluoroMethyl-1,2,3,4-tetrahydro-isoquinoline
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.20251206 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS284027-36-7
- Purity/Analytical Methods: >99.0%
284027-36-7 / 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Basic Information
CAS
284027-36-7
Multi CAS
No
Molecular Formula
C10F3H10N
Molecular Weight
201.190000
Exact Mass
201.076534
InChI
InChI=1S/C10H10F3N/c11-10(12,13)9-3-1-2-7-4-5-14-6-8(7)9/h1-3,14H,4-6H2
InChIKey
ZISQRAKOWZOXDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.85
TPSA
12.03
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.2
Consensus LogP
2.21
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.28
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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