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CAS 208338-52-7 4-[difluoro(3,4,5-trifluorophenoxy)Methyl]-4′-pentyl-1,1′-bi(cyclohexyl) molecular structure lightbox
CAS RN: 208338-52-7

4-[difluoro(3,4,5-trifluorophenoxy)Methyl]-4′-pentyl-1,1′-bi(cyclohexyl)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260105 1g In stock Tianjin, Chengdu Inquiry
Batchno.20250605 25g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250717 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS208338-52-7
  • Purity/Analytical Methods: >99.0%
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208338-52-7 / 5-[difluoro-[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene

Standard CAS: 208338-52-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208338-52-7
Multi CAS
No
Molecular Formula
C24H33F5O
Molecular Weight
432.500000
Exact Mass
432.245156
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F
InChI
InChI=1S/C24H33F5O/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)24(28,29)30-20-14-21(25)23(27)22(26)15-20/h14-19H,2-13H2,1H3
InChIKey
OGGGWPPCVOSSBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
106.93
TPSA
9.23

LogP / Solubility

WLOGP
8.27
MLOGP
7.3
XLogP3
10.2
Consensus LogP
8.59
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-9.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.29
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)
0.51

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

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