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CAS RN: 326594-18-7
2,2,2-TRIFLUORO-1-NAPHTHALEN-1-YL-ETHYLAMINE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260601 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS326594-18-7
- Purity/Analytical Methods: >99.0%
326594-18-7 / 2,2,2-trifluoro-1-naphthalen-1-ylethanamine
Basic Information
CAS
326594-18-7
Multi CAS
No
Molecular Formula
C12F3H10N
Molecular Weight
225.210000
Exact Mass
225.076534
InChI
InChI=1S/C12H10F3N/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,16H2
InChIKey
OOXZTNKNQVNTBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.93
TPSA
26.02
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3.2
Consensus LogP
3.2
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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