![CAS 1415257-78-1 (1S)-1-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415257-78-1.gif)
CAS RN: 1415257-78-1
(1S)-1-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HYDROCHLORIDE
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.20251211 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1415257-78-1
- Purity/Analytical Methods: >99.0%
1415257-78-1 / (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
Basic Information
CAS
1415257-78-1
Multi CAS
No
Molecular Formula
C9H10ClF4N
Molecular Weight
243.630000
Exact Mass
243.043790
SMILES
C[C@@H](C1=CC(=C(C=C1)C(F)(F)F)F)N.Cl
InChI
InChI=1S/C9H9F4N.ClH/c1-5(14)6-2-3-7(8(10)4-6)9(11,12)13;/h2-5H,14H2,1H3;1H/t5-;/m0./s1
InChIKey
NLBPCMJOACOYKH-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.25
TPSA
26.02
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
3.29
Consensus LogP
3.16
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
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 1415257-82-7 (1R)-1-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415257-82-7.gif)
