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CAS 92118-84-8 3-Fluoro-4-cyanophenyl trans-4-(4-n-pentylcyclohexyl)-benzoate molecular structure lightbox
CAS RN: 92118-84-8

3-Fluoro-4-cyanophenyl trans-4-(4-n-pentylcyclohexyl)-benzoate

  • Product code: SSC-205691
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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: 5g
  • Available purity: ＞97%
  • 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 92118-84-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

92118-84-8 / (4-cyano-3-fluorophenyl) 4-(4-pentylcyclohexyl)benzoate

Standard CAS: 92118-84-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92118-84-8
Multi CAS
Yes
Molecular Formula
C25FH28NO2
Molecular Weight
393.500000
Exact Mass
393.210407
InChI
InChI=1S/C25H28FNO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)25(28)29-23-15-14-22(17-27)24(26)16-23/h10-16,18-19H,2-9H2,1H3
InChIKey
JHWDKPIJNPJWBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
111.36
TPSA
50.09

LogP / Solubility

WLOGP
6.77
MLOGP
5.98
XLogP3
8.1
Consensus LogP
6.95
Log S (ESOL)
-6.39
Class (ESOL)
Insoluble
Log S (Ali)
-7.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.68
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)
-0.31

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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