CAS RN: 1638501-43-5
Cinacalcet Impurity 2
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.20260509 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1638501-43-5
- Purity/Analytical Methods: >99.0%
1638501-43-5 / N-[(1S)-1-naphthalen-2-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
Basic Information
CAS
1638501-43-5
Multi CAS
No
Molecular Formula
C22H22F3N
Molecular Weight
357.400000
Exact Mass
357.170434
SMILES
C[C@@H](C1=CC2=CC=CC=C2C=C1)NCCCC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C22H22F3N/c1-16(19-12-11-18-8-2-3-9-20(18)15-19)26-13-5-7-17-6-4-10-21(14-17)22(23,24)25/h2-4,6,8-12,14-16,26H,5,7,13H2,1H3/t16-/m0/s1
InChIKey
ILSUSBULBRBBLD-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
100.13
TPSA
12.03
LogP / Solubility
WLOGP
6.14
MLOGP
5.42
XLogP3
6.1
Consensus LogP
5.89
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
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)
-0.54
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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