![CAS 127733-40-8 (R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HCL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127733-40-8.gif)
CAS RN: 127733-40-8
(R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HCL
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.20251209 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-035197
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 | Beijing | Inquiry |
127733-40-8 / (1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanamine
Basic Information
CAS
127733-40-8
Multi CAS
No
Molecular Formula
C10H9F6N
Molecular Weight
257.180000
Exact Mass
257.063918
SMILES
C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C10H9F6N/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5H,17H2,1H3/t5-/m0/s1
InChIKey
PFVWEAYXWZFSSK-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.05
TPSA
26.02
LogP / Solubility
WLOGP
3.74
MLOGP
3.3
XLogP3
2.9
Consensus LogP
3.31
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63
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 127733-46-4 (R)-1-[2-(Trifluoromethyl)phenyl]ethylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127733-46-4.gif)
![CAS 127733-47-5 (R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127733-47-5.gif)
