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CAS 124729-02-8 trans-1-Ethoxy-2,3-difluoro-4-(4-pentylcyclohexyl)benzene molecular structure lightbox
CAS RN: 124729-02-8

trans-1-Ethoxy-2,3-difluoro-4-(4-pentylcyclohexyl)benzene

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260209 5g / 25g / 100g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250317 100g In stock Chengdu Inquiry
Batchno.20251018 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250430 25g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250311 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250310 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-028879
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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: ＞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 124729-02-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

124729-02-8 / 1-ethoxy-2,3-difluoro-4-(4-pentylcyclohexyl)benzene

Standard CAS: 124729-02-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
124729-02-8
Multi CAS
No
Molecular Formula
C19H28F2O
Molecular Weight
310.400000
Exact Mass
310.210822
SMILES
CCCCCC1CCC(CC1)C2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C19H28F2O/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-13-17(22-4-2)19(21)18(16)20/h12-15H,3-11H2,1-2H3
InChIKey
RFVOKVIZOOXEPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
86.37
TPSA
9.23

LogP / Solubility

WLOGP
6.22
MLOGP
5.48
XLogP3
7.4
Consensus LogP
6.37
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
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)
-0.2

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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