![CAS 2044706-96-7 2-[4-(2,2,2-Trifluoroethoxy)phenyl]ethylamine Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044706-96-7.png)
CAS RN: 2044706-96-7
2-[4-(2,2,2-Trifluoroethoxy)phenyl]ethylamine Hydrochloride
- Product code: SSC-096226
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: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥97%
- Inventory rows with stock: 8
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.1g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 5g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
2044706-96-7 / 2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine;hydrochloride
Basic Information
CAS
2044706-96-7
Multi CAS
No
Molecular Formula
C10H13ClF3NO
Molecular Weight
255.660000
Exact Mass
255.063776
SMILES
C1=CC(=CC=C1CCN)OCC(F)(F)F.Cl
InChI
InChI=1S/C10H12F3NO.ClH/c11-10(12,13)7-15-9-3-1-8(2-4-9)5-6-14;/h1-4H,5-7,14H2;1H
InChIKey
MWMSKLPRJUOFIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58
TPSA
35.25
LogP / Solubility
WLOGP
2.55
MLOGP
2.25
XLogP3
2.55
Consensus LogP
2.45
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 2044707-02-8 [(2-chloro-4-fluorophenyl)methyl]hydrazine dihydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[(2-chloro-4-fluorophenyl)methyl]hydrazine dihydrochloride
- CAS RN: 2044707-02-8
- Product Code: SSC-096230
-
-
(2R)-6-{[(tert-butoxy)carbonyl](methyl)amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid
- CAS RN: 2044709-77-3
- Product Code: SSC-096257
-
(9H-Fluoren-9-yl)MethOxy]Carbonyl D-Dab(Ac)-OH
- CAS RN: 2044709-82-0
- Product Code: SSC-096258
-
Fmoc-D-homoArg(Z)2-OH
- CAS RN: 2044709-94-4
- Product Code: starshine_CAS2044709-94-4
- Purity/Analytical method: >99.0%
-
![CAS 2044707-02-8 [(2-chloro-4-fluorophenyl)methyl]hydrazine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044707-02-8.png)
amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044709-77-3.png)
![CAS 2044709-82-0 (9H-Fluoren-9-yl)MethOxy]Carbonyl D-Dab(Ac)-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044709-82-0.png)
