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CAS 124728-81-0 TRANS,TRANS-4”-(4-ETHOXY-2,3-DIFLUORO-PHENYL)-4-PENTYL-BICYCLOHEXYL molecular structure lightbox
CAS RN: 124728-81-0

TRANS,TRANS-4”-(4-ETHOXY-2,3-DIFLUORO-PHENYL)-4-PENTYL-BICYCLOHEXYL

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250623 250mg In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251227 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260414 5g In stock Shanghai Inquiry
Batchno.20260205 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-028877
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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: ≥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 124728-81-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

124728-81-0 / 1-ethoxy-2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene

Standard CAS: 124728-81-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124728-81-0
Multi CAS
No
Molecular Formula
C25H38F2O
Molecular Weight
392.600000
Exact Mass
392.289072
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C25H38F2O/c1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-17-23(28-4-2)25(27)24(22)26/h16-21H,3-15H2,1-2H3
InChIKey
GLZNOTOAQDMKMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.76
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
111.82
TPSA
9.23

LogP / Solubility

WLOGP
8.02
MLOGP
7.08
XLogP3
9.9
Consensus LogP
8.33
Log S (ESOL)
-6.96
Class (ESOL)
Insoluble
Log S (Ali)
-8.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.83
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
Yes
Log Kp (skin permeation)
0.58

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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