![CAS 1391469-75-2 (1R)-2,2,2-TRIFLUORO-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391469-75-2.gif)
CAS RN: 1391469-75-2
(1R)-2,2,2-TRIFLUORO-1-[3-(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.20260211 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-049491
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1391469-75-2 / (1R)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
Basic Information
CAS
1391469-75-2
Multi CAS
No
Molecular Formula
C9H8ClF6N
Molecular Weight
279.610000
Exact Mass
279.024946
SMILES
C1=CC(=CC(=C1)C(F)(F)F)[C@H](C(F)(F)F)N.Cl
InChI
InChI=1S/C9H7F6N.ClH/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15;/h1-4,7H,16H2;1H/t7-;/m1./s1
InChIKey
XFJJZYCPEXYDHF-OGFXRTJISA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.68
TPSA
26.02
LogP / Solubility
WLOGP
3.69
MLOGP
3.26
XLogP3
3.69
Consensus LogP
3.55
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
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 1391484-89-1 (1S)-1-[4-(TRIFLUOROMETHOXY)PHENYL]PROPYLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391484-89-1.gif)
