![CAS 216002-20-9 (R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HCL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/216002-20-9.gif)
CAS RN: 216002-20-9
(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.20250821 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-103528
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 5g, 1g, 0.1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
216002-20-9 / (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanamine;hydrochloride
Basic Information
CAS
216002-20-9
Multi CAS
No
Molecular Formula
C10H10ClF6N
Molecular Weight
293.630000
Exact Mass
293.040596
SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N.Cl
InChI
InChI=1S/C10H9F6N.ClH/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16;/h2-5H,17H2,1H3;1H/t5-;/m1./s1
InChIKey
DWSPCWWXKNPRFN-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.3
TPSA
26.02
LogP / Solubility
WLOGP
4.17
MLOGP
3.68
XLogP3
4.17
Consensus LogP
4.01
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
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)
-1.55
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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