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CAS 174350-05-1 1-Ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene molecular structure lightbox
CAS RN: 174350-05-1

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

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 100g Out of stock Inquiry
Batchno.20250203 10g In stock Shanghai Inquiry
Batchno.20250119 1g In stock Shanghai Inquiry
Batchno.20250616 25g In stock Shanghai Inquiry
Batchno.20250429 5g In stock Shanghai Inquiry
  • Product code: SSC-076498
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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 174350-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

174350-05-1 / 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene

Standard CAS: 174350-05-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
174350-05-1
Multi CAS
No
Molecular Formula
C17H24F2O
Molecular Weight
282.370000
Exact Mass
282.179522
SMILES
CCCC1CCC(CC1)C2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C17H24F2O/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18/h10-13H,3-9H2,1-2H3
InChIKey
BOAHGIPRRKDVQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
77.13
TPSA
9.23

LogP / Solubility

WLOGP
5.44
MLOGP
4.79
XLogP3
6.3
Consensus LogP
5.51
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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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