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CAS 155266-68-5 trans,trans-4′-(3-Butenyl)-4-(3,4-difluorophenyl)bicyclohexyl molecular structure lightbox
CAS RN: 155266-68-5

trans,trans-4′-(3-Butenyl)-4-(3,4-difluorophenyl)bicyclohexyl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-064570
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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: 1g
  • 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 155266-68-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

155266-68-5 / 4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2-difluorobenzene

Standard CAS: 155266-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155266-68-5
Multi CAS
No
Molecular Formula
C22H30F2
Molecular Weight
332.500000
Exact Mass
332.231557
SMILES
C=CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C22H30F2/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(23)22(24)15-20/h2,13-19H,1,3-12H2
InChIKey
UMULWEQZNFZORL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
95.94
TPSA
0.0000

LogP / Solubility

WLOGP
7.01
MLOGP
6.19
XLogP3
8.5
Consensus LogP
7.23
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-7.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.24
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)
0.23

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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