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CAS 131819-24-4 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene molecular structure lightbox
CAS RN: 131819-24-4

1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene

  • Product code: SSC-038922
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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 131819-24-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

131819-24-4 / 1,2,3-trifluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene

Standard CAS: 131819-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131819-24-4
Multi CAS
No
Molecular Formula
C23H33F3
Molecular Weight
366.500000
Exact Mass
366.253436
SMILES
CCCC1CCC(CC1)CCC2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C23H33F3/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h14-19H,2-13H2,1H3
InChIKey
PGBOJQDLNPQVCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.74
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
100.61
TPSA
0.0000

LogP / Solubility

WLOGP
7.76
MLOGP
6.85
XLogP3
9.6
Consensus LogP
8.07
Log S (ESOL)
-6.78
Class (ESOL)
Insoluble
Log S (Ali)
-8.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.21
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.56

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
2.5

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