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CAS 137019-95-5 3,4,5-Trifluoro-4′-(trans-4-pentylcyclohexyl)biphenyl molecular structure lightbox
CAS RN: 137019-95-5

3,4,5-Trifluoro-4′-(trans-4-pentylcyclohexyl)biphenyl

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260206 10g Out of stock Inquiry
Batchno.20250119 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260202 25g Out of stock Inquiry
Batchno.20250909 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251127 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-046527
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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 137019-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

137019-95-5 / 1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)phenyl]benzene

Standard CAS: 137019-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137019-95-5
Multi CAS
No
Molecular Formula
C23H27F3
Molecular Weight
360.500000
Exact Mass
360.206485
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C23H27F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h10-17H,2-9H2,1H3
InChIKey
PRYCYWMMSZSXBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
100.59
TPSA
0.0000

LogP / Solubility

WLOGP
7.63
MLOGP
6.73
XLogP3
8.8
Consensus LogP
7.72
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.05
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)
0.49

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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