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CAS 137529-40-9 1,1′-Biphenyl, 4′-[(trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]-3,4,5-trifluoro- molecular structure lightbox
CAS RN: 137529-40-9

1,1′-Biphenyl, 4′-[(trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]-3,4,5-trifluoro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250521 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-047226
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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: ≥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 137529-40-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

137529-40-9 / 5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene

Standard CAS: 137529-40-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137529-40-9
Multi CAS
No
Molecular Formula
C26H31F3
Molecular Weight
400.500000
Exact Mass
400.237785
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C(=C4)F)F)F
InChI
InChI=1S/C26H31F3/c1-2-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-24(27)26(29)25(28)16-23/h11-20H,2-10H2,1H3
InChIKey
ZLIZIVXWHBEWMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
112.19
TPSA
0.0000

LogP / Solubility

WLOGP
8.26
MLOGP
7.29
XLogP3
9.6
Consensus LogP
8.38
Log S (ESOL)
-7.57
Class (ESOL)
Insoluble
Log S (Ali)
-8.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.6
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)
0.7

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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