CAS RN: 2222662-58-8
(S)-2,2,2-TRIFLUORO-1-(NAPHTHALEN-1-YL)ETHANAMINE HYDROCHLORIDE
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.20251029 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-106891
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2222662-58-8 / (1S)-2,2,2-trifluoro-1-naphthalen-1-ylethanamine;hydrochloride
Basic Information
CAS
2222662-58-8
Multi CAS
No
Molecular Formula
C12H11ClF3N
Molecular Weight
261.670000
Exact Mass
261.053212
SMILES
C1=CC=C2C(=C1)C=CC=C2[C@@H](C(F)(F)F)N.Cl
InChI
InChI=1S/C12H10F3N.ClH/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,11H,16H2;1H/t11-;/m0./s1
InChIKey
OUTCIXNNERQAAI-MERQFXBCSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.18
TPSA
26.02
LogP / Solubility
WLOGP
3.82
MLOGP
3.37
XLogP3
3.82
Consensus LogP
3.67
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6
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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