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CAS 1418144-65-6 Siponimod molecular structure lightbox
CAS RN: 1418144-65-6

Siponimod

  • Product code: SSC-052527
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1418144-65-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1418144-65-6 / ethyl N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]ethanimidate

Standard CAS: 1418144-65-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1418144-65-6
Multi CAS
No
Molecular Formula
C18H24F3NO2
Molecular Weight
343.400000
Exact Mass
343.175913
SMILES
CCOC(=NOCC1=CC(=C(C=C1)C2CCCCC2)C(F)(F)F)C
InChI
InChI=1S/C18H24F3NO2/c1-3-23-13(2)22-24-12-14-9-10-16(15-7-5-4-6-8-15)17(11-14)18(19,20)21/h9-11,15H,3-8,12H2,1-2H3/b22-13+
InChIKey
WOUZBNWNCNNUOH-LPYMAVHISA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
86.79
TPSA
30.82

LogP / Solubility

WLOGP
5.64
MLOGP
4.98
XLogP3
6
Consensus LogP
5.54
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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