CAS RN: 323178-01-4
4-ethoxy-2,3-difluoro-4′-(trans-4-ethylcyclohexyl)- 1,1′-Biphenyl
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260227 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS323178-01-4
- Purity/Analytical Methods: >99.0%
323178-01-4 / 1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene
Basic Information
CAS
323178-01-4
Multi CAS
Yes
Molecular Formula
C22F2H26O
Molecular Weight
344.400000
Exact Mass
344.195172
InChI
InChI=1S/C22H26F2O/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23/h9-16H,3-8H2,1-2H3
InChIKey
DEFRYXBKOCRIJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
97.95
TPSA
9.23
LogP / Solubility
WLOGP
6.71
MLOGP
5.93
XLogP3
7.4
Consensus LogP
6.68
Log S (ESOL)
-6.23
Class (ESOL)
Insoluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
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
No
Log Kp (skin permeation)
-0.05
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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