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CAS 118164-51-5 trans,trans-4-(3,4-Difluorophenyl)-4′-pentylbicyclohexyl molecular structure lightbox
CAS RN: 118164-51-5

trans,trans-4-(3,4-Difluorophenyl)-4′-pentylbicyclohexyl

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260204 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250801 25g In stock Shanghai, Tianjin Inquiry
Batchno.20251219 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-018001
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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: 25g
  • 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 118164-51-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

118164-51-5 / 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene

DTXSID00342417 | 3~3~,3~4~-Difluoro-1~4~-pentyl-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl | RefChem:283344

Standard CAS: 118164-51-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118164-51-5
Multi CAS
Yes
Molecular Formula
C23H34F2
Molecular Weight
348.500000
Exact Mass
348.262857
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C23H34F2/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21/h14-20H,2-13H2,1H3
InChIKey
YDVUSMRUBCJGAV-UHFFFAOYSA-N
Synonyms
DTXSID00342417 3~3~,3~4~-Difluoro-1~4~-pentyl-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl RefChem:283344 DTXCID20293497 trans,trans-4-(3,4-Difluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane)

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.74
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
100.65
TPSA
0.0000

LogP / Solubility

WLOGP
7.63
MLOGP
6.73
XLogP3
9.5
Consensus LogP
7.95
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-7.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.97
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
No
Log Kp (skin permeation)
0.57

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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