![CAS 1228542-85-5 (1R)-1-[3-(TRIFLUOROMETHOXY)PHENYL]ETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228542-85-5.gif)
CAS RN: 1228542-85-5
(1R)-1-[3-(TRIFLUOROMETHOXY)PHENYL]ETHYLAMINE
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.20260418 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-026406
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 | Shenzhen | Inquiry |
1228542-85-5 / (1S)-1-[3-(trifluoromethoxy)phenyl]ethanamine
Basic Information
CAS
1228542-85-5
Multi CAS
No
Molecular Formula
C9H10F3NO
Molecular Weight
205.180000
Exact Mass
205.071448
SMILES
C[C@@H](C1=CC(=CC=C1)OC(F)(F)F)N
InChI
InChI=1S/C9H10F3NO/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1
InChIKey
XRRKIDIISISOKH-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.73
TPSA
35.25
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.12
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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![CAS 1228550-57-9 (3S)-5-(TRIFLUOROMETHOXY)-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228550-57-9.gif)
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