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CAS 92118-83-7 3-Fluoro-4-cyanophenyl trans-4- (4-n-butylcyclohexyl)benzoate molecular structure lightbox
CAS RN: 92118-83-7

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

  • Product code: SSC-205690
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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: 10g
  • 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 92118-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

92118-83-7 / (4-cyano-3-fluorophenyl) 4-(4-butylcyclohexyl)benzoate

Standard CAS: 92118-83-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92118-83-7
Multi CAS
No
Molecular Formula
C24FH26NO2
Molecular Weight
379.500000
Exact Mass
379.194757
InChI
InChI=1S/C24H26FNO2/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(27)28-22-14-13-21(16-26)23(25)15-22/h9-15,17-18H,2-8H2,1H3
InChIKey
KVKDTXQRPCOZPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
106.74
TPSA
50.09

LogP / Solubility

WLOGP
6.38
MLOGP
5.64
XLogP3
7.6
Consensus LogP
6.54
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.14
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)
-0.5

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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