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CAS 137529-41-0 trans,trans-3,4,5-Trifluoro-4′-(4′-propylbicyclohexyl-4-yl)biphenyl molecular structure lightbox
CAS RN: 137529-41-0

trans,trans-3,4,5-Trifluoro-4′-(4′-propylbicyclohexyl-4-yl)biphenyl

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260205 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20250110 10g In stock Shanghai Inquiry
Batchno.20250409 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260408 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250523 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250103 25g In stock Shandong Inquiry
Batchno.20250528 5g In stock Shandong, Chongqing Inquiry
  • Product code: SSC-047227
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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 137529-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

137529-41-0 / 1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

Standard CAS: 137529-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137529-41-0
Multi CAS
No
Molecular Formula
C27H33F3
Molecular Weight
414.500000
Exact Mass
414.253436
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C(=C4)F)F)F
InChI
InChI=1S/C27H33F3/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-25(28)27(30)26(29)17-24/h12-21H,2-11H2,1H3
InChIKey
LQRASBADJFXRBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
116.81
TPSA
0.0000

LogP / Solubility

WLOGP
8.65
MLOGP
7.64
XLogP3
10.2
Consensus LogP
8.83
Log S (ESOL)
-7.83
Class (ESOL)
Insoluble
Log S (Ali)
-9.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.14
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.89

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
3

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