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CAS 132123-45-6 3,4,5-Trifluorophenyl trans,trans-4′-Propylbicyclohexyl-4-carboxylate molecular structure lightbox
CAS RN: 132123-45-6

3,4,5-Trifluorophenyl trans,trans-4′-Propylbicyclohexyl-4-carboxylate

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251104 5g / 25g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250209 100g In stock Shanghai Inquiry
Batchno.20250811 10g In stock Shanghai Inquiry
Batchno.20260208 1g In stock Shanghai Inquiry
Batchno.20251202 25g In stock Shanghai Inquiry
Batchno.20260620 5g In stock Shanghai Inquiry
  • Product code: SSC-039139
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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: ＞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 132123-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Hong Kong Inquiry

132123-45-6 / (3,4,5-trifluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

Standard CAS: 132123-45-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132123-45-6
Multi CAS
No
Molecular Formula
C22H29F3O2
Molecular Weight
382.500000
Exact Mass
382.211965
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C22H29F3O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(26)27-18-12-19(23)21(25)20(24)13-18/h12-17H,2-11H2,1H3
InChIKey
SDAWLPKKYZMFEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
97.76
TPSA
26.3

LogP / Solubility

WLOGP
6.42
MLOGP
5.67
XLogP3
7.8
Consensus LogP
6.63
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
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)
-0.49

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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