CAS RN: 1428118-39-1
(R)-N-(1-(naphthalen-1-yl)ethyl)-3-(4-(trifluoromethyl)phenyl)propan-1-amine 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.20250703 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1428118-39-1
- Purity/Analytical Methods: >99.0%
1428118-39-1 / N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
Basic Information
CAS
1428118-39-1
Multi CAS
No
Molecular Formula
C22H23ClF3N
Molecular Weight
393.900000
Exact Mass
393.147112
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC=C(C=C3)C(F)(F)F.Cl
InChI
InChI=1S/C22H22F3N.ClH/c1-16(20-10-4-8-18-7-2-3-9-21(18)20)26-15-5-6-17-11-13-19(14-12-17)22(23,24)25;/h2-4,7-14,16,26H,5-6,15H2,1H3;1H
InChIKey
DSKNQUVQQYTQFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
107.38
TPSA
12.03
LogP / Solubility
WLOGP
6.56
MLOGP
5.8
XLogP3
6.56
Consensus LogP
6.31
Log S (ESOL)
-6.46
Class (ESOL)
Insoluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
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)
-0.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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