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CAS 82832-58-4 trans,trans-4′-Butyl-4-(3,4-difluorophenyl)bicyclohexyl molecular structure lightbox
CAS RN: 82832-58-4

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

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260221 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250329 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250629 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260524 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250425 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-190878
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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 82832-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

82832-58-4 / 4-[4-(4-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene

Standard CAS: 82832-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82832-58-4
Multi CAS
No
Molecular Formula
C22F2H32
Molecular Weight
334.500000
Exact Mass
334.247207
InChI
InChI=1S/C22H32F2/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/h13-19H,2-12H2,1H3
InChIKey
NZXZINXFUSKTPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
96.03
TPSA
0.0000

LogP / Solubility

WLOGP
7.24
MLOGP
6.38
XLogP3
9
Consensus LogP
7.54
Log S (ESOL)
-6.33
Class (ESOL)
Insoluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.44
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)
0.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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