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CAS 84656-78-0 Benzene, 1-ethoxy-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]- molecular structure lightbox
CAS RN: 84656-78-0

Benzene, 1-ethoxy-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS84656-78-0
  • Purity/Analytical Methods: >99.0%
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84656-78-0 / 1-ethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

Standard CAS: 84656-78-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84656-78-0
Multi CAS
No
Molecular Formula
C23H36O
Molecular Weight
328.500000
Exact Mass
328.276616
InChI
InChI=1S/C23H36O/c1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)24-4-2/h14-21H,3-13H2,1-2H3
InChIKey
FXFZNZIPWAAKSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.74
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
102.67
TPSA
9.23

LogP / Solubility

WLOGP
6.97
MLOGP
6.15
XLogP3
8.6
Consensus LogP
7.24
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.3
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
No
Log Kp (skin permeation)
0.22

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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