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CAS 473257-15-7 TRANS,TRANS-4-BUTYL-4”-(4-ETHOXY-2,3-DIFLUORO-PHENYL)-BICYCLOHEXYL molecular structure lightbox
CAS RN: 473257-15-7

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

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260415 1g In stock Shanghai Inquiry
Batchno.20250901 250mg In stock Shanghai, Shandong Inquiry
Batchno.20251109 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS473257-15-7
  • Purity/Analytical Methods: >99.0%
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473257-15-7 / 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene

Standard CAS: 473257-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
473257-15-7
Multi CAS
No
Molecular Formula
C24F2H36O
Molecular Weight
378.500000
Exact Mass
378.273422
InChI
InChI=1S/C24H36F2O/c1-3-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-16-22(27-4-2)24(26)23(21)25/h15-20H,3-14H2,1-2H3
InChIKey
FDNSXGJAVAUPJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
107.2
TPSA
9.23

LogP / Solubility

WLOGP
7.63
MLOGP
6.74
XLogP3
9.3
Consensus LogP
7.89
Log S (ESOL)
-6.7
Class (ESOL)
Insoluble
Log S (Ali)
-8.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.3
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)
0.39

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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