CAS RN: 173306-43-9
4-Methyl-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260331 | 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS173306-43-9
- Purity/Analytical Methods: >99.0%
173306-43-9 / 1-methyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
Basic Information
CAS
173306-43-9
Multi CAS
No
Molecular Formula
C22H28
Molecular Weight
292.500000
Exact Mass
292.219101
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C22H28/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19/h5-6,9-10,13-16,18,20H,3-4,7-8,11-12H2,1-2H3
InChIKey
CLRHFAMMZFURPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
4
Molar refractivity
96.22
TPSA
0.0000
LogP / Solubility
WLOGP
6.74
MLOGP
5.94
XLogP3
7.8
Consensus LogP
6.83
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.28
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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