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CAS 139215-80-8 trans,trans-4′-Ethyl-4-(3,4,5-trifluorophenyl)bicyclohexyl molecular structure lightbox
CAS RN: 139215-80-8

trans,trans-4′-Ethyl-4-(3,4,5-trifluorophenyl)bicyclohexyl

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250402 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250430 200mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250410 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250909 5g In stock Tianjin, Chengdu Inquiry
  • Product code: SSC-049622
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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: 100g
  • 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 139215-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

139215-80-8 / 5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene

Standard CAS: 139215-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
139215-80-8
Multi CAS
No
Molecular Formula
C20H27F3
Molecular Weight
324.400000
Exact Mass
324.206485
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C20H27F3/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h11-16H,2-10H2,1H3
InChIKey
DXFHMMVZUZLQFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
86.75
TPSA
0.0000

LogP / Solubility

WLOGP
6.59
MLOGP
5.82
XLogP3
8
Consensus LogP
6.8
Log S (ESOL)
-6
Class (ESOL)
Insoluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
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
No
Log Kp (skin permeation)
-0.02

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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