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CAS 135734-59-7 trans,trans-4′-Ethyl-4-(4-trifluoromethoxyphenyl)bicyclohexyl molecular structure lightbox
CAS RN: 135734-59-7

trans,trans-4′-Ethyl-4-(4-trifluoromethoxyphenyl)bicyclohexyl

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250131 25g In stock Shandong Inquiry
Batchno.20250423 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250529 1g Out of stock Inquiry
Batchno.20260509 5g Out of stock Inquiry
  • Product code: SSC-044302
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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: ＞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 135734-59-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

135734-59-7 / 1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene

Standard CAS: 135734-59-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
135734-59-7
Multi CAS
No
Molecular Formula
C21H29F3O
Molecular Weight
354.400000
Exact Mass
354.217050
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C21H29F3O/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(14-12-19)25-21(22,23)24/h11-18H,2-10H2,1H3
InChIKey
PBIFTROFCZATFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
93.56
TPSA
9.23

LogP / Solubility

WLOGP
7.08
MLOGP
6.24
XLogP3
8.9
Consensus LogP
7.41
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.32
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)
0.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H413 (11.1%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P273, P319, and P501

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