![CAS 1229225-42-6 (R)-α-Methyl-N-[3-[3-(trifluoroMethyl)phenyl]Methyl]-1-naphthaleneMethaneaMine Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1229225-42-6.gif)
CAS RN: 1229225-42-6
(R)-α-Methyl-N-[3-[3-(trifluoroMethyl)phenyl]Methyl]-1-naphthaleneMethaneaMine 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.20250107 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1229225-42-6
- Purity/Analytical Methods: >99.0%
1229225-42-6 / (1R)-1-naphthalen-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine;hydrochloride
Basic Information
CAS
1229225-42-6
Multi CAS
No
Molecular Formula
C20H19ClF3N
Molecular Weight
365.800000
Exact Mass
365.115812
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC(=CC=C3)C(F)(F)F.Cl
InChI
InChI=1S/C20H18F3N.ClH/c1-14(18-11-5-8-16-7-2-3-10-19(16)18)24-13-15-6-4-9-17(12-15)20(21,22)23;/h2-12,14,24H,13H2,1H3;1H/t14-;/m1./s1
InChIKey
ZNJSHPLNLWRJKG-PFEQFJNWSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
97.89
TPSA
12.03
LogP / Solubility
WLOGP
6.13
MLOGP
5.42
XLogP3
6.13
Consensus LogP
5.89
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-6.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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