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CAS 189750-98-9 4-Ethoxy-2,3-difluoro-4′-(trans-4-propylcyclohexyl)biphenyl molecular structure lightbox
CAS RN: 189750-98-9

4-Ethoxy-2,3-difluoro-4′-(trans-4-propylcyclohexyl)biphenyl

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 1g In stock Shanghai Inquiry
Batchno.20251115 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251122 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250617 25g In stock Shandong Inquiry
Batchno.20250830 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-088867
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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 189750-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

189750-98-9 / 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene

Standard CAS: 189750-98-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
189750-98-9
Multi CAS
No
Molecular Formula
C23H28F2O
Molecular Weight
358.500000
Exact Mass
358.210822
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C23H28F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h10-17H,3-9H2,1-2H3
InChIKey
IBFAIOMGVHPWRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
102.57
TPSA
9.23

LogP / Solubility

WLOGP
7.1
MLOGP
6.27
XLogP3
8
Consensus LogP
7.12
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-7.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.14

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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