CAS RN: 1431699-53-4
Cinacalcet IMpurity 5
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.20260610 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1431699-53-4
- Purity/Analytical Methods: >99.0%
1431699-53-4 / N-(1-naphthalen-1-ylethyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
Basic Information
CAS
1431699-53-4
Multi CAS
No
Molecular Formula
C22H22F3N
Molecular Weight
357.400000
Exact Mass
357.170434
SMILES
CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C22H22F3N/c1-16(19-13-6-10-17-8-2-4-12-20(17)19)26-15-7-11-18-9-3-5-14-21(18)22(23,24)25/h2-6,8-10,12-14,16,26H,7,11,15H2,1H3/t16-/m1/s1
InChIKey
GYYWMGJOMCUDDS-MRXNPFEDSA-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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