CAS RN: 75414-01-6
8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
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.20251105 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS75414-01-6
- Purity/Analytical Methods: >99.0%
75414-01-6 / 8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
Basic Information
CAS
75414-01-6
Multi CAS
No
Molecular Formula
C10F3H10N
Molecular Weight
201.190000
Exact Mass
201.076534
InChI
InChI=1S/C10H10F3N/c11-10(12,13)8-5-1-3-7-4-2-6-14-9(7)8/h1,3,5,14H,2,4,6H2
InChIKey
AIZOQUQBOXPVBX-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
48.25
TPSA
12.03
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
3.2
Consensus LogP
2.99
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly 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)
-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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- Product Code: starshine_CAS75415-20-2
- Purity/Analytical method: >99.0%
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